N~3~-benzyl-N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-benzyl-N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-benzyl-N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V030-4624 |
| Compound Name: | N~3~-benzyl-N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 575.03 |
| Molecular Formula: | C32 H26 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccccc1)c1c2ccccc2nc(c2ccccc2[Cl])n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0758 |
| logD: | 6.4725 |
| logSw: | -6.4594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.38 |
| InChI Key: | JJGGEIZECXLRQT-UHFFFAOYSA-N |