N-(butan-2-yl)-3-[1,5-dioxo-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[1,5-dioxo-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[1,5-dioxo-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L940-0089 |
| Compound Name: | N-(butan-2-yl)-3-[1,5-dioxo-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 487.48 |
| Molecular Formula: | C24 H24 F3 N5 O3 |
| Smiles: | CCC(C)NC(CCN1C2=NN(Cc3cccc(c3)C(F)(F)F)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5246 |
| logD: | 3.5246 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.098 |
| InChI Key: | ZVUKSESNMWNQHH-HNNXBMFYSA-N |