2-({[3-(1-benzylpiperidin-4-yl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[3-(1-benzylpiperidin-4-yl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[3-(1-benzylpiperidin-4-yl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | K263-0655 |
| Compound Name: | 2-({[3-(1-benzylpiperidin-4-yl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C30 H26 N4 O S2 |
| Smiles: | C1CN(CCC1N1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1735 |
| logD: | 5.44 |
| logSw: | -6.1215 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.084 |
| InChI Key: | HLWXNIOOGXWTTQ-UHFFFAOYSA-N |