{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G859-0145 |
| Compound Name: | {[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C28 H24 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.2164 |
| logD: | 4.2114 |
| logSw: | -4.1988 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.233 |
| InChI Key: | ZKGJOZQMXVRPQN-UHFFFAOYSA-N |