2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0635 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 502.06 |
| Molecular Formula: | C27 H20 Cl N3 O S2 |
| Smiles: | C(CN1C(=Nc2c3ccccc3sc2C1=O)SCc1cccc(c1)[Cl])c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.9952 |
| logD: | 6.9952 |
| logSw: | -6.5049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.115 |
| InChI Key: | AOODPCKJAVVDBO-UHFFFAOYSA-N |