5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2557 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 594.57 |
| Molecular Formula: | C28 H23 F N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2cccc(c2)F)c1Oc1ccc(cc1S(NC1CC1)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9002 |
| logD: | -0.6158 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.843 |
| InChI Key: | VBFWBDOGHDTWPA-UHFFFAOYSA-N |