N-[(3-methoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(3-methoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0994 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | COc1cccc(CNC(C2CCCCc3nnc(c4ccccc4)n23)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9197 |
| logD: | 2.9188 |
| logSw: | -3.3995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.219 |
| InChI Key: | QFSPSDOLRBIMEV-IBGZPJMESA-N |