N-[(4-methylphenyl)methyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K263-0378 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C28 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7416 |
| logD: | 5.7416 |
| logSw: | -5.6138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.716 |
| InChI Key: | WQZBBESPVBBRNY-UHFFFAOYSA-N |