N-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0149 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C19 H25 F N4 O2 |
| Smiles: | CC(C)CN1C(N2C(CCCCC2=N1)C(Nc1ccc(C)c(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7803 |
| logD: | 3.7795 |
| logSw: | -3.9118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.583 |
| InChI Key: | ZVGSUKUTDQGOEU-INIZCTEOSA-N |