2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-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-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-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-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0244 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(N(C)Cc2cccnc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2885 |
| logD: | 1.288 |
| logSw: | -0.9402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.222 |
| InChI Key: | OLIFAFANKMLUDD-QGZVFWFLSA-N |