N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V005-8123 |
| Compound Name: | N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 471.31 |
| Molecular Formula: | C21 H19 Cl2 F3 N4 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2cc(cc(c2n1)[Cl])[Cl])NCCC(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4471 |
| logD: | 5.3698 |
| logSw: | -6.0952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.473 |
| InChI Key: | XDHWSCDSJDYSDV-UHFFFAOYSA-N |