4-({[3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
4-({[3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-3604 |
| Compound Name: | 4-({[3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C23 H17 N3 O2 S |
| Smiles: | COc1ccccc1N1C(=Nc2ccccc2C1=O)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4125 |
| logD: | 3.412 |
| logSw: | -3.8515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.545 |
| InChI Key: | NRHDVFKWAUHWGY-UHFFFAOYSA-N |