methyl 2-({[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
methyl 2-({[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Compound characteristics
| Compound ID: | V030-8036 |
| Compound Name: | methyl 2-({[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate |
| Molecular Weight: | 685.67 |
| Molecular Formula: | C32 H23 F4 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CS(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2279 |
| logD: | 6.1797 |
| logSw: | -5.5805 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.442 |
| InChI Key: | XVUGLWQIDQDYRD-UHFFFAOYSA-N |