4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D365-0142 |
| Compound Name: | 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1365 |
| logD: | 1.9955 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.528 |
| InChI Key: | GGLKEJUACHWTQN-UHFFFAOYSA-N |