3-phenyl-N-[(pyridin-4-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-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-N-[(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0974 |
| Compound Name: | 3-phenyl-N-[(pyridin-4-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(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4659 |
| logD: | 1.4617 |
| logSw: | -1.4525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.103 |
| InChI Key: | MSJJECFDNMLWEL-KRWDZBQOSA-N |