N-(3-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
N-(3-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
Compound characteristics
| Compound ID: | V031-2740 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide |
| Molecular Weight: | 632.96 |
| Molecular Formula: | C31 H23 Br Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[Cl])=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7 |
| logD: | 7.6991 |
| logSw: | -6.5574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | AQNKFYLFDQOIFC-UHFFFAOYSA-N |