N-(pentan-3-yl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(pentan-3-yl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(pentan-3-yl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-3914 |
| Compound Name: | N-(pentan-3-yl)-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 292.42 |
| Molecular Formula: | C16 H28 N4 O |
| Smiles: | CCC(CC)NC(C1CCCCc2nnc(C(C)C)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9908 |
| logD: | 2.9854 |
| logSw: | -3.1146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.127 |
| InChI Key: | MNZYLTNYFBSVBL-ZDUSSCGKSA-N |