N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[2-(pyridin-2-yl)ethyl]-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-[2-(pyridin-2-yl)ethyl]-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-[2-(pyridin-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0168 |
| Compound Name: | N-methyl-3-oxo-2-(2-phenoxyethyl)-N-[2-(pyridin-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | CN(CCc1ccccn1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5999 |
| logD: | 2.593 |
| logSw: | -2.5309 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.584 |
| InChI Key: | ZKCYKDXVTBVGCH-LJQANCHMSA-N |