2-[(3-methylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-methylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0445 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | Cc1cccc(CN2C(N3C=C(C=CC3=N2)S(N2CCSCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4571 |
| logD: | 2.457 |
| logSw: | -2.5715 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.51 |
| InChI Key: | SHOZZFDOFINNIF-UHFFFAOYSA-N |