N~3~-[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V024-8053 |
| Compound Name: | N~3~-[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 559.01 |
| Molecular Formula: | C29 H27 Cl F4 N4 O |
| Salt: | not_available |
| Smiles: | CC(C)CN(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccc(cc2nc(c2ccc(cc2)F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.2807 |
| logD: | 8.0113 |
| logSw: | -6.6267 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.651 |
| InChI Key: | HFVWWIKFCIXATC-UHFFFAOYSA-N |