N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | S906-0198 |
| Compound Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | Cc1c(CNC(C2CCC3=NN(CCOc4ccccc4)C(N3CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2552 |
| logD: | 2.2552 |
| logSw: | -2.4353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.364 |
| InChI Key: | HBUDFGQAQBTPPZ-QGZVFWFLSA-N |