N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V024-4333 |
| Compound Name: | N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 553.03 |
| Molecular Formula: | C30 H28 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN(CCc1ccccc1)c1c2ccc(cc2nc(C2CC2)n1)[Cl])C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4862 |
| logD: | 5.3811 |
| logSw: | -6.707 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.881 |
| InChI Key: | SMXMMTDJBFTAPF-UHFFFAOYSA-N |