({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | K284-0693 |
| Compound Name: | ({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCC#N)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3702 |
| logD: | 2.3702 |
| logSw: | -2.8012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.774 |
| InChI Key: | CWXFOHCVNJFMOM-UHFFFAOYSA-N |