N~3~-(7-chloro-2-phenylquinazolin-4-yl)-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(7-chloro-2-phenylquinazolin-4-yl)-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(7-chloro-2-phenylquinazolin-4-yl)-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V028-0774 |
| Compound Name: | N~3~-(7-chloro-2-phenylquinazolin-4-yl)-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C29 H28 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | CC(C)CN(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccc(cc2nc(c2ccccc2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.1465 |
| logD: | 7.5622 |
| logSw: | -6.504 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.651 |
| InChI Key: | QEDDFVOOPOULNL-UHFFFAOYSA-N |