N,2-bis[(3,5-dimethyl-1,2-oxazol-4-yl)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,2-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N,2-bis[(3,5-dimethyl-1,2-oxazol-4-yl)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: | S906-0286 |
| Compound Name: | N,2-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C20 H26 N6 O4 |
| Smiles: | Cc1c(CNC(C2CCC3=NN(Cc4c(C)noc4C)C(N3CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1774 |
| logD: | 1.1774 |
| logSw: | -1.5741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.006 |
| InChI Key: | NJMPVDQVQGHQKG-OAHLLOKOSA-N |