N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0235 |
| Compound Name: | N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(N(C)Cc2ccccc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6016 |
| logD: | 2.6016 |
| logSw: | -2.5667 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.704 |
| InChI Key: | IFCXIVDLPPBJND-GOSISDBHSA-N |