5-[4-(3,3-dimethylbutanamido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4592 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 596.66 |
| Molecular Formula: | C29 H32 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2ccc(cc2)OC)c1Oc1ccc(cc1S(NCc1ccco1)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8119 |
| logD: | 0.2959 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.809 |
| InChI Key: | QIKQVXRLNRBVSN-UHFFFAOYSA-N |