5-bromo-N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
5-bromo-N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide
5-bromo-N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V026-6713 |
| Compound Name: | 5-bromo-N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 700.58 |
| Molecular Formula: | C30 H26 Br N3 O8 S2 |
| Smiles: | COc1ccc(c(c1)OC)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NS(c1cc(ccc1OC)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.521 |
| logD: | 5.4827 |
| logSw: | -5.3811 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.108 |
| InChI Key: | XPGDHKOYKOPEKH-UHFFFAOYSA-N |