2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | E580-0040 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide |
| Molecular Weight: | 478.42 |
| Molecular Formula: | C21 H17 Cl2 N3 O2 S2 |
| Smiles: | C1CSC2=C1N=C(N(Cc1ccccc1)C2=O)SCC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9885 |
| logD: | 4.9836 |
| logSw: | -5.1913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.257 |
| InChI Key: | PMSVWCIDUXPYNH-UHFFFAOYSA-N |