4-bromo-N-(4-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(4-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-bromo-N-(4-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V031-2752 |
| Compound Name: | 4-bromo-N-(4-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 677.41 |
| Molecular Formula: | C31 H23 Br2 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)[Br])=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 8.0483 |
| logD: | 8.0469 |
| logSw: | -5.6845 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | AFWJXMHHHDCSHF-UHFFFAOYSA-N |