methyl 2-({[4-({4-(3,4-dimethylanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-({4-(3,4-dimethylanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
methyl 2-({[4-({4-(3,4-dimethylanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Compound characteristics
| Compound ID: | V031-2498 |
| Compound Name: | methyl 2-({[4-({4-(3,4-dimethylanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate |
| Molecular Weight: | 631.73 |
| Molecular Formula: | C32 H29 N3 O7 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NS(Cc1ccccc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0354 |
| logD: | 5.9872 |
| logSw: | -5.4706 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.802 |
| InChI Key: | HSYZZLHYZJWXDZ-UHFFFAOYSA-N |