2-[({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
2-[({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | K263-0745 |
| Compound Name: | 2-[({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 474 |
| Molecular Formula: | C25 H16 Cl N3 O S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 6.4262 |
| logD: | 6.4262 |
| logSw: | -6.1941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.322 |
| InChI Key: | WCVJRAFTAIXSTJ-UHFFFAOYSA-N |