methyl 2-[(3-cyclobutyl[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfamoyl]benzoate
Chemical Structure Depiction of
methyl 2-[(3-cyclobutyl[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfamoyl]benzoate
methyl 2-[(3-cyclobutyl[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfamoyl]benzoate
Compound characteristics
| Compound ID: | P313-0675 |
| Compound Name: | methyl 2-[(3-cyclobutyl[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfamoyl]benzoate |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | COC(c1ccccc1S(Nc1cccn2c(C3CCC3)nnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6035 |
| logD: | 1.4559 |
| logSw: | -2.5032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.772 |
| InChI Key: | JXXQWQCEYYHAMJ-UHFFFAOYSA-N |