2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K263-0688 |
| Compound Name: | 2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C22 H19 N3 O S2 |
| Smiles: | CCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.6039 |
| logD: | 5.6039 |
| logSw: | -5.5209 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.572 |
| InChI Key: | BBWDNLARIHDDCZ-UHFFFAOYSA-N |