N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V015-9872 |
| Compound Name: | N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 619.48 |
| Molecular Formula: | C32 H26 Br F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccccc1)c1c2ccccc2nc(c2cccc(c2)[Br])n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3318 |
| logD: | 7.7286 |
| logSw: | -6.5506 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.38 |
| InChI Key: | ZCVTXMCEYMRZIT-UHFFFAOYSA-N |