3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Compound characteristics
| Compound ID: | C741-0765 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide |
| Molecular Weight: | 569.97 |
| Molecular Formula: | C28 H23 Cl F3 N5 O3 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)C(NCCOc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4399 |
| logD: | 4.4399 |
| logSw: | -4.5825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.437 |
| InChI Key: | YSOIANCUTAXJHK-UHFFFAOYSA-N |