methyl 2-{[(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V031-2564 |
| Compound Name: | methyl 2-{[(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate |
| Molecular Weight: | 678.58 |
| Molecular Formula: | C31 H24 Br N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CS(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8961 |
| logD: | 5.8667 |
| logSw: | -5.5348 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.442 |
| InChI Key: | CUJSPVPQEYJWNF-UHFFFAOYSA-N |