2-{[(2-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0693 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 441.01 |
| Molecular Formula: | C23 H21 Cl N2 O S2 |
| Smiles: | C1CCC(CC1)N1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.8306 |
| logD: | 6.8306 |
| logSw: | -6.4442 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.4874 |
| InChI Key: | XTRAGAIWUULGJS-UHFFFAOYSA-N |