({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | K263-0770 |
| Compound Name: | ({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C19 H12 Cl N3 O S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c3ccccc3sc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.6102 |
| logD: | 4.6102 |
| logSw: | -4.675 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.029 |
| InChI Key: | DBBFAUYSMCGASM-UHFFFAOYSA-N |