methyl 2-{[(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V031-2582 |
| Compound Name: | methyl 2-{[(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate |
| Molecular Weight: | 635.67 |
| Molecular Formula: | C31 H23 F2 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CS(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3842 |
| logD: | 5.336 |
| logSw: | -5.4317 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.442 |
| InChI Key: | ZZQYLMHTSYNUID-UHFFFAOYSA-N |