5-bromo-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-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-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-methoxybenzene-1-sulfonamide
5-bromo-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-8069 |
| Compound Name: | 5-bromo-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 672.52 |
| Molecular Formula: | C29 H20 Br F2 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1S(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)F)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7886 |
| logD: | 5.7503 |
| logSw: | -5.5783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.271 |
| InChI Key: | KKTIMDLTIHZQGD-UHFFFAOYSA-N |