2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | K843-0053 |
| Compound Name: | 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide |
| Molecular Weight: | 519.68 |
| Molecular Formula: | C28 H29 N3 O3 S2 |
| Smiles: | CC(C)N(C(CSC1=Nc2c(C(N1c1ccccc1OC)=O)c1CCCCc1s2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4122 |
| logD: | 5.4122 |
| logSw: | -5.388 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.531 |
| InChI Key: | CNQUKVMBBBNJFI-UHFFFAOYSA-N |