2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-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-ethyl-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-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0213 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C16 H23 N5 O3 |
| Smiles: | CCNC(C1CCC2=NN(Cc3c(C)noc3C)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8313 |
| logD: | 0.8313 |
| logSw: | -1.1778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.865 |
| InChI Key: | VXQCGJHROFWFOP-LBPRGKRZSA-N |