3-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-1033 |
| Compound Name: | 3-phenyl-N-[3-(1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C20 H24 N6 O |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCCCn1cccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4179 |
| logD: | 1.4175 |
| logSw: | -1.7955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.29 |
| InChI Key: | RFIXMWQSRWNAQH-KRWDZBQOSA-N |