N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V002-8750 |
| Compound Name: | N~3~-[2-(2-chlorophenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 612.1 |
| Molecular Formula: | C32 H33 Cl F3 N5 O2 |
| Salt: | not_available |
| Smiles: | C(CN1CCOCC1)CN(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccccc2nc(c2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7222 |
| logD: | 5.1379 |
| logSw: | -5.8796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.249 |
| InChI Key: | IXEATCDLEGQGDA-UHFFFAOYSA-N |