4-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C200-2177 |
| Compound Name: | 4-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 528.09 |
| Molecular Formula: | C26 H26 Cl N3 O3 S2 |
| Smiles: | C(CC(NCC1CCCO1)=O)CN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1435 |
| logD: | 4.1435 |
| logSw: | -4.3248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.37 |
| InChI Key: | KZXYRAWGCZUQGA-GOSISDBHSA-N |