N-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(3,4-dimethylphenyl)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: | CM3850-2548 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C21 H24 N6 O |
| Smiles: | Cc1ccc(CNC(C2CCCCc3nnc(c4cnccn4)n23)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9383 |
| logD: | 1.9372 |
| logSw: | -1.8985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.241 |
| InChI Key: | HCRHIEFMTPLMNS-SFHVURJKSA-N |