N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V030-6645 |
| Compound Name: | N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 589.06 |
| Molecular Formula: | C33 H28 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN(CCc1ccccc1)c1c2ccccc2nc(c2ccccc2[Cl])n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.506 |
| logD: | 6.9216 |
| logSw: | -6.5223 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.358 |
| InChI Key: | JIAHPCGOXDQZMT-UHFFFAOYSA-N |