N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dichlorobenzamide
N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dichlorobenzamide
Compound characteristics
| Compound ID: | V031-2704 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dichlorobenzamide |
| Molecular Weight: | 669.38 |
| Molecular Formula: | C30 H20 Br Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1[Cl])[Cl])=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1306 |
| logD: | 7.1234 |
| logSw: | -6.5913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | XFAAIUPGCCMDNJ-UHFFFAOYSA-N |