5-bromo-N-[4-({4-(4-bromoanilino)-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-(4-bromoanilino)-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-(4-bromoanilino)-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: | V027-4034 |
| Compound Name: | 5-bromo-N-[4-({4-(4-bromoanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 719.43 |
| Molecular Formula: | C28 H21 Br2 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1S(Nc1ccc(cc1)SC1=C(C(N(Cc2ccco2)C1=O)=O)Nc1ccc(cc1)[Br])(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.2863 |
| logD: | 6.248 |
| logSw: | -5.4412 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.632 |
| InChI Key: | TWNAUHFRAXPCGO-UHFFFAOYSA-N |