N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0195 |
| Compound Name: | N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1nccn1CCNC(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2757 |
| logD: | 0.3038 |
| logSw: | -1.7071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.703 |
| InChI Key: | NBFIBESIMRDGQL-GOSISDBHSA-N |