N-(2-methylpropyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2-methylpropyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0985 |
| Compound Name: | N-(2-methylpropyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | CC(C)CNC(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7329 |
| logD: | 2.7326 |
| logSw: | -3.0543 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.947 |
| InChI Key: | ZGZMJHMMYQYZNT-HNNXBMFYSA-N |