N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0887 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | COc1ccc(CCNC(C2CCCCc3nnc(c4ccccc4)n23)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.513 |
| logD: | 2.5126 |
| logSw: | -2.8691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.778 |
| InChI Key: | AYODYQQRZJJBEU-IBGZPJMESA-N |