N-[(3,5-dimethoxyphenyl)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-[(3,5-dimethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(3,5-dimethoxyphenyl)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: | CM3850-2551 |
| Compound Name: | N-[(3,5-dimethoxyphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | COc1cc(CNC(C2CCCCc3nnc(c4cnccn4)n23)=O)cc(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1686 |
| logD: | 1.1674 |
| logSw: | -1.8904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.328 |
| InChI Key: | SMVUOLCWOFYRSW-SFHVURJKSA-N |