N~3~-benzyl-N~3~-(2-cyclopropylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-benzyl-N~3~-(2-cyclopropylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-benzyl-N~3~-(2-cyclopropylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V026-0406 |
| Compound Name: | N~3~-benzyl-N~3~-(2-cyclopropylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C29 H27 F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccccc1)c1c2ccccc2nc(C2CC2)n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1504 |
| logD: | 4.0202 |
| logSw: | -6.3982 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.903 |
| InChI Key: | PHKOSGOUJKTWBZ-UHFFFAOYSA-N |