2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-acetylphenyl)acetamide
Chemical Structure Depiction of
2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-acetylphenyl)acetamide
2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-acetylphenyl)acetamide
Compound characteristics
| Compound ID: | G641-0436 |
| Compound Name: | 2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-acetylphenyl)acetamide |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C26 H28 N4 O5 S2 |
| Smiles: | CC(c1cccc(c1)NC(CSC1=Nc2c(C(N1CC1CCCO1)=O)c1CCN(Cc1s2)C(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1643 |
| logD: | 2.1642 |
| logSw: | -2.8374 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.353 |
| InChI Key: | MNEKCVJRXAZCNY-LJQANCHMSA-N |