3-(1-propanoylpiperidin-2-yl)-N-[2-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
3-(1-propanoylpiperidin-2-yl)-N-[2-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-(1-propanoylpiperidin-2-yl)-N-[2-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S923-1005 |
| Compound Name: | 3-(1-propanoylpiperidin-2-yl)-N-[2-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C22 H27 F3 N6 O2 |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.554 |
| logD: | 2.554 |
| logSw: | -3.108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.928 |
| InChI Key: | HWSYSWGURUWYHT-KRWDZBQOSA-N |