2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | E580-0059 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | C1CSC2=C1N=C(N(Cc1ccccc1)C2=O)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4399 |
| logD: | 3.439 |
| logSw: | -3.7266 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.639 |
| InChI Key: | WRBFUAHTFORHGH-UHFFFAOYSA-N |