5-[4-(3,3-dimethylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-5576 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 605.71 |
| Molecular Formula: | C31 H35 N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NCCc1ccccn1)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9885 |
| logD: | 0.4725 |
| logSw: | -4.4298 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.901 |
| InChI Key: | OBBVUXAFOZOFOH-UHFFFAOYSA-N |