3-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0692 |
| Compound Name: | 3-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 414.97 |
| Molecular Formula: | C21 H19 Cl N2 O S2 |
| Smiles: | CCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4602 |
| logD: | 6.4602 |
| logSw: | -6.0634 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.5157 |
| InChI Key: | PJRPPORXKOVGJY-UHFFFAOYSA-N |