1-tert-butyl-4-methyl-5-[4-(2-methylbenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-[4-(2-methylbenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
1-tert-butyl-4-methyl-5-[4-(2-methylbenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4603 |
| Compound Name: | 1-tert-butyl-4-methyl-5-[4-(2-methylbenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C30 H33 N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)S(NCCc1ccccn1)(=O)=O)Oc1c(C)c(C(O)=O)nn1C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9995 |
| logD: | 1.2865 |
| logSw: | -4.1423 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.809 |
| InChI Key: | VAVGHBXEOJSYKB-UHFFFAOYSA-N |