2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 421577-85-7) — formula C21H20ClN3O2S2, molecular weight 446.0; category organic chemicals.
| CAS Number | 421577-85-7 |
|---|---|
| Molecular Formula | C21H20ClN3O2S2 |
| Molecular Weight | 446.0 |
| LogP | 5.2 |
| Category | Organic Chemicals |
2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide is a carbon-based organic compound with CAS registry number 421577-85-7 and molecular formula C21H20ClN3O2S2 (molecular weight 446.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 421577-85-7
Its molecular formula C21H20ClN3O2S2 comprises 21 C, 20 H, 1 Cl, 3 N, 2 O, 2 S atoms.
Also known as: 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide · 2-((3-烯丙基-4-氧代-3,4,5,6,7,8-六氢苯并[4,5]噻吩并[2,3-d]嘧啶-2-基)硫基)-N-(3-氯苯基)乙酰胺
Category: organic chemicals
The CAS registry number of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide is 421577-85-7.
Molecular formula C21H20ClN3O2S2, molecular weight 446.0.
It is also registered under: 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide, 2-((3-烯丙基-4-氧代-3,4,5,6,7,8-六氢苯并[4,5]噻吩并[2,3-d]嘧啶-2-基)硫基)-N-(3-氯苯基)乙酰胺.
Category: Organic Chemicals.
Independent reference data for 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 421577-85-7), compiled from public chemistry databases.
| CAS 号 | 421577-85-7 |
|---|---|
| PubChem CID | 989874 |
| 分子式 | C21H20ClN3O2S2 |
| IUPAC 名称 | N-(3-chlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| UNII（FDA） | ST50082014 |
| Molecular Weight | 446.0 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 445.0685469 |
| Monoisotopic Mass | 445.0685469 |
| Topological Polar Surface Area | 115 |
| Heavy Atom Count | 29 |
421577-85-7; AO-364/40761372; STK804353; AKOS001639618; ST50082014; SR-01000490541; SR-01000490541-1; F1043-0016
2-((3-烯丙基-4-氧代-3,4,5,6,7,8-六氢苯并[4,5]噻吩并[2,3-d]嘧啶-2-基)硫基)-N-(3-氯苯基)乙酰胺 · CAS 421577-85-7 · C21H20ClN3O2S2. UNII ST50082014.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-((3-烯丙基-4-氧代-3,4,5,6,7,8-六氢苯并[4,5]噻吩并[2,3-d]嘧啶-2-基)硫基)-N-(3-氯苯基)乙酰胺