3-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0956 |
| Compound Name: | 3-phenyl-N-[2-(pyrrolidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCCN1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8774 |
| logD: | -0.1459 |
| logSw: | -2.1315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.865 |
| InChI Key: | FNDVDFDHKAKSMC-KRWDZBQOSA-N |