2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G641-0048 |
| Compound Name: | 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C28 H28 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCN(Cc1s2)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7238 |
| logD: | 4.7238 |
| logSw: | -4.5092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.261 |
| InChI Key: | XRACLFPFTJGMSC-UHFFFAOYSA-N |