5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2294 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 592.63 |
| Molecular Formula: | C29 H28 N4 O8 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4837 |
| logD: | -0.0323 |
| logSw: | -4.2655 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.033 |
| InChI Key: | ZNJCDYGVDPYFPD-UHFFFAOYSA-N |