3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y503-3415 |
| Compound Name: | 3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 291.31 |
| Molecular Formula: | C16 H13 N5 O |
| Smiles: | Cc1c(/C=C(C#N)/C2NC(c3ccccc3N=2)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.7459 |
| logD: | -0.0474 |
| logSw: | -2.212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.109 |
| InChI Key: | LNCKGIIWHURVII-UHFFFAOYSA-N |