N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V027-5544 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 606.44 |
| Molecular Formula: | C29 H18 Br F2 N3 O3 S |
| Salt: | not_available |
| Smiles: | c1cc(cc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0308 |
| logD: | 6.03 |
| logSw: | -6.0892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | GQOFZNCHLOLLFR-UHFFFAOYSA-N |