2-({4-oxo-3-[(pyridin-3-yl)methyl]-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-[(pyridin-3-yl)methyl]-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-[(pyridin-3-yl)methyl]-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: | K263-0775 |
| Compound Name: | 2-({4-oxo-3-[(pyridin-3-yl)methyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C27 H22 N4 O2 S2 |
| Smiles: | C=CCN(C(CSC1=Nc2c3ccccc3sc2C(N1Cc1cccnc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7451 |
| logD: | 4.7451 |
| logSw: | -4.7634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.129 |
| InChI Key: | DABROECFOXWKJU-UHFFFAOYSA-N |