N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V027-0764 |
| Compound Name: | N~3~-(7-chloro-2-cyclopropylquinazolin-4-yl)-N~3~-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 490.96 |
| Molecular Formula: | C25 H26 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | CC(C)N(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccc(cc2nc(C2CC2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6467 |
| logD: | 4.6927 |
| logSw: | -6.4999 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.918 |
| InChI Key: | BDRCKVIIDJBWBO-UHFFFAOYSA-N |