N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0166 |
| Compound Name: | N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CN(Cc1cccnc1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3662 |
| logD: | 2.3658 |
| logSw: | -2.0239 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.58 |
| InChI Key: | QMPAFRFLNRGINE-LJQANCHMSA-N |