2-[(3,4-dimethylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(3,4-dimethylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3,4-dimethylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0450 |
| Compound Name: | 2-[(3,4-dimethylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(CN2C(N3C=C(C=CC3=N2)S(N2CCSCC2)(=O)=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.7884 |
| logD: | 2.7883 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.51 |
| InChI Key: | HIUIAOBGEDKEQL-UHFFFAOYSA-N |