3-oxo-2-(2-phenoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
3-oxo-2-(2-phenoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-2-(2-phenoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0190 |
| Compound Name: | 3-oxo-2-(2-phenoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C23 H30 N6 O3 |
| Smiles: | Cc1c(CNC(C2CCC3=NN(CCOc4ccccc4)C(N3CC2)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.656 |
| logD: | 1.656 |
| logSw: | -1.8776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.165 |
| InChI Key: | LIILWAMQWWPSOK-GOSISDBHSA-N |