N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V027-3132 |
| Compound Name: | N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-(2-phenylethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 575.46 |
| Molecular Formula: | C29 H27 Cl2 F3 N4 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2cc(cc(c2n1)[Cl])[Cl])N(CCC(NCc1cccc(c1)C(F)(F)F)=O)CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5502 |
| logD: | 7.3316 |
| logSw: | -6.5178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.39 |
| InChI Key: | ITVKXXCXOARPJU-UHFFFAOYSA-N |