1-(2,5-dimethylphenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
1-(2,5-dimethylphenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V003-9891 |
| Compound Name: | 1-(2,5-dimethylphenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 605.71 |
| Molecular Formula: | C31 H35 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCCc1ccccn1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.09 |
| logD: | 0.574 |
| logSw: | -4.6342 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.6 |
| InChI Key: | XGLUDZUSCMVDMA-UHFFFAOYSA-N |