5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-9732 |
| Compound Name: | 5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 631.72 |
| Molecular Formula: | C30 H38 F N5 O7 S |
| Salt: | not_available |
| Smiles: | CCC(CC)C(Nc1ccc(c(c1)S(NCCCN1CCOCC1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4773 |
| logD: | -1.0387 |
| logSw: | -3.7449 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.462 |
| InChI Key: | BANMDOWTCFYWFG-UHFFFAOYSA-N |