2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Chemical Structure Depiction of
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1754 |
| Compound Name: | 2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C29 H23 N5 O S |
| Smiles: | CCCSc1ccc(cc1)c1c(\C=C(C#N)/C2NC(c3ccccc3N=2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2607 |
| logD: | 3.8863 |
| logSw: | -4.9747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.58 |
| InChI Key: | PMAJQYYDANNPTQ-UHFFFAOYSA-N |