2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1609 |
| Compound Name: | 2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile |
| Molecular Weight: | 341.29 |
| Molecular Formula: | C18 H10 F3 N3 O |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2504 |
| logD: | 2.5481 |
| logSw: | -3.9579 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | HCEDGDKDWREFEK-UHFFFAOYSA-N |