methyl 2-{[(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V030-5591 |
| Compound Name: | methyl 2-{[(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate |
| Molecular Weight: | 644.56 |
| Molecular Formula: | C28 H26 Br N3 O6 S2 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NS(Cc1ccccc1C(=O)OC)(=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.689 |
| logD: | 5.6359 |
| logSw: | -5.5079 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.046 |
| InChI Key: | CRVPGDLFYPYOBZ-UHFFFAOYSA-N |