4-bromo-N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-bromo-N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V029-5579 |
| Compound Name: | 4-bromo-N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 660.54 |
| Molecular Formula: | C32 H26 Br N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)[Br])=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1329 |
| logD: | 6.1315 |
| logSw: | -5.5352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.103 |
| InChI Key: | XNICFWJFNUTBHL-UHFFFAOYSA-N |