N-[(2-ethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(2-ethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-2470 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | CCOc1ccccc1CNC(C1CCCCc2nnc(c3cnccn3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5279 |
| logD: | 1.5268 |
| logSw: | -1.5528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.451 |
| InChI Key: | NQOKANLXTUYWFY-KRWDZBQOSA-N |