N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]-N-methyl-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-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0539 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H29 F N6 O2 |
| Smiles: | CCn1cc(CN(C)C(C2CCCCC3=NN(Cc4cccc(c4)F)C(N23)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3148 |
| logD: | 2.3147 |
| logSw: | -2.4388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.225 |
| InChI Key: | KFKQJFHACKUFGJ-FQEVSTJZSA-N |