methyl 2-{[(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V029-8493 |
| Compound Name: | methyl 2-{[(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate |
| Molecular Weight: | 655.75 |
| Molecular Formula: | C31 H33 N3 O9 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NS(Cc1ccccc1C(=O)OC)(=O)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4554 |
| logD: | 4.4023 |
| logSw: | -4.2474 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.122 |
| InChI Key: | FQKKQCUKTWURLA-UHFFFAOYSA-N |