4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile
Chemical Structure Depiction of
4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile
4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile
Compound characteristics
| Compound ID: | 8016-9750 |
| Compound Name: | 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile |
| Molecular Weight: | 335.43 |
| Molecular Formula: | C19 H17 N3 O S |
| Smiles: | C(CC#N)CSC1=Nc2ccccc2C(N1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8624 |
| logD: | 2.8624 |
| logSw: | -3.6466 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.534 |
| InChI Key: | NJAPUMDQFWIUIG-UHFFFAOYSA-N |