5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(furan-2-carbonyl)amino]phenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(furan-2-carbonyl)amino]phenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(furan-2-carbonyl)amino]phenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4602 |
| Compound Name: | 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(furan-2-carbonyl)amino]phenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 630.63 |
| Molecular Formula: | C31 H26 N4 O9 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6842 |
| logD: | 0.1682 |
| logSw: | -4.4097 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.152 |
| InChI Key: | PGYLMOXMBNNNNP-UHFFFAOYSA-N |