2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2056 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(NCCc2cccs2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0488 |
| logD: | 4.0488 |
| logSw: | -3.9006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.479 |
| InChI Key: | QNAAFPBIOXQTPX-LJQANCHMSA-N |