2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-methylbutyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-methylbutyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-methylbutyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0252 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-methylbutyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C19 H29 N5 O3 |
| Smiles: | CC(C)CCNC(C1CCC2=NN(Cc3c(C)noc3C)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0981 |
| logD: | 2.0981 |
| logSw: | -2.2614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.08 |
| InChI Key: | CVVNIUWBFOMYJC-OAHLLOKOSA-N |