3-phenyl-N-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-phenyl-N-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-N-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0874 |
| Compound Name: | 3-phenyl-N-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C20 H21 N5 O |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5947 |
| logD: | 1.5915 |
| logSw: | -1.2385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.193 |
| InChI Key: | VCXUMVSOXAPIFH-KRWDZBQOSA-N |