3-(4-benzyl-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-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
3-(4-benzyl-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: | C741-0421 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide |
| Molecular Weight: | 535.53 |
| Molecular Formula: | C28 H24 F3 N5 O3 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)C(NCCOc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.956 |
| logD: | 3.956 |
| logSw: | -4.2413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.437 |
| InChI Key: | STZRXOLLYBIWAD-UHFFFAOYSA-N |