1-(4-chlorophenyl)-5-[2-{[(furan-2-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-[2-{[(furan-2-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-(4-chlorophenyl)-5-[2-{[(furan-2-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-0098 |
| Compound Name: | 1-(4-chlorophenyl)-5-[2-{[(furan-2-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 587.05 |
| Molecular Formula: | C27 H27 Cl N4 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCc1ccco1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9904 |
| logD: | 0.4744 |
| logSw: | -4.8062 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.265 |
| InChI Key: | PGFAGCCTVNNIHK-UHFFFAOYSA-N |