N-butyl-2-[(2,5-dimethylphenyl)methyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Chemical Structure Depiction of
N-butyl-2-[(2,5-dimethylphenyl)methyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
N-butyl-2-[(2,5-dimethylphenyl)methyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2039 |
| Compound Name: | N-butyl-2-[(2,5-dimethylphenyl)methyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C21 H30 N4 O2 |
| Smiles: | CCCCN(C)C(C1CCCN2C1=NN(Cc1cc(C)ccc1C)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9037 |
| logD: | 3.9037 |
| logSw: | -3.6648 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.606 |
| InChI Key: | CBLQIBQLQIAEHE-GOSISDBHSA-N |