2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1-ethyl-3-methyl-1H-pyrazol-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
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1-ethyl-3-methyl-1H-pyrazol-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
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1-ethyl-3-methyl-1H-pyrazol-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: | S906-0277 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1-ethyl-3-methyl-1H-pyrazol-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: | 441.53 |
| Molecular Formula: | C22 H31 N7 O3 |
| Smiles: | CCn1cc(CN(C)C(C2CCC3=NN(Cc4c(C)noc4C)C(N3CC2)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2198 |
| logD: | 1.2198 |
| logSw: | -1.1758 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 86.559 |
| InChI Key: | VMVWFAMLQVYXGZ-QGZVFWFLSA-N |