1-(3-fluorophenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(3-fluorophenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
1-(3-fluorophenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3577 |
| Compound Name: | 1-(3-fluorophenyl)-4-methyl-5-[4-(3-methylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 617.7 |
| Molecular Formula: | C29 H36 F N5 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCCCN1CCOCC1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2871 |
| logD: | -1.2289 |
| logSw: | -3.6139 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.249 |
| InChI Key: | AUYKTEZXIAJHAD-UHFFFAOYSA-N |