3-{4-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylphenyl)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: | C741-0497 |
| Compound Name: | 3-{4-[(4-methylphenyl)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: | 549.55 |
| Molecular Formula: | C29 H26 F3 N5 O3 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCOc4cccc(c4)C(F)(F)F)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3794 |
| logD: | 4.3794 |
| logSw: | -4.3548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.437 |
| InChI Key: | ALJZXZXVZLYFJX-UHFFFAOYSA-N |