N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0151 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | CC(C)CN1C(N2C(CCCCC2=N1)C(NCc1ccc(C)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7886 |
| logD: | 2.7886 |
| logSw: | -3.1506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.168 |
| InChI Key: | LJXPPSMTFYANLK-HNNXBMFYSA-N |