5-bromo-N-[4-({4-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-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: | V027-4056 |
| Compound Name: | 5-bromo-N-[4-({4-(3,4-dimethylanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 668.59 |
| Molecular Formula: | C30 H26 Br N3 O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NS(c1cc(ccc1OC)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4398 |
| logD: | 6.4016 |
| logSw: | -5.5623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.632 |
| InChI Key: | WTGABXWJPJSOEO-UHFFFAOYSA-N |