2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | K263-0372 |
| Compound Name: | 2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 511.66 |
| Molecular Formula: | C29 H25 N3 O2 S2 |
| Smiles: | C=CCN(C(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1574 |
| logD: | 6.1574 |
| logSw: | -6.1089 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.589 |
| InChI Key: | MLTFWHJDBOIMPW-UHFFFAOYSA-N |