{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
{[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G859-0051 |
| Compound Name: | {[7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C26 H19 F N4 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2565 |
| logD: | 3.2564 |
| logSw: | -3.593 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.233 |
| InChI Key: | CDICONPKFRQXTQ-UHFFFAOYSA-N |