5-{4-(3,3-dimethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-(3,3-dimethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-(3,3-dimethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V026-5884 |
| Compound Name: | 5-{4-(3,3-dimethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 562.62 |
| Molecular Formula: | C26 H31 F N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2ccc(cc2)F)c1Oc1ccc(cc1S(NCCOC)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7611 |
| logD: | -0.7549 |
| logSw: | -4.129 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.972 |
| InChI Key: | PDZGCHFLPNAKAU-UHFFFAOYSA-N |