N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0941 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | COc1cccc(CNC(C2CCCCc3nnc(c4ccccc4)n23)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9633 |
| logD: | 2.9624 |
| logSw: | -3.3244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.023 |
| InChI Key: | ZCRBHPXCNJYSNM-SFHVURJKSA-N |