N-benzyl-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-benzyl-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0919 |
| Compound Name: | N-benzyl-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C22 H24 N4 O |
| Smiles: | CN(Cc1ccccc1)C(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4167 |
| logD: | 3.4142 |
| logSw: | -3.5829 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.412 |
| InChI Key: | TWWACGGEIVEQEX-IBGZPJMESA-N |