N~3~-benzyl-N~3~-(7-chloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-benzyl-N~3~-(7-chloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-benzyl-N~3~-(7-chloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V015-5144 |
| Compound Name: | N~3~-benzyl-N~3~-(7-chloro-2-ethylquinazolin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 526.99 |
| Molecular Formula: | C28 H26 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2ccc(cc2n1)[Cl])N(CCC(NCc1cccc(c1)C(F)(F)F)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7024 |
| logD: | 5.9745 |
| logSw: | -6.3619 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.642 |
| InChI Key: | ZLRBHJLECRHBHK-UHFFFAOYSA-N |