N-(3-methylbutyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-(3-methylbutyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0457 |
| Compound Name: | N-(3-methylbutyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C19 H27 N5 O2 |
| Smiles: | CC(C)CCNC(C1CCC2=NN(Cc3ccncc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6422 |
| logD: | 1.6388 |
| logSw: | -1.7719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.47 |
| InChI Key: | AHBUCTGJKXYHDV-MRXNPFEDSA-N |