2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0786 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C24 H19 N3 O S2 |
| Smiles: | Cc1ccccc1CSC1=Nc2c3ccccc3sc2C(N1Cc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6269 |
| logD: | 5.6268 |
| logSw: | -5.3389 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.784 |
| InChI Key: | JIRVTWAQGAHNKK-UHFFFAOYSA-N |