2-chloro-N-(4-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(4-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
2-chloro-N-(4-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V025-8449 |
| Compound Name: | 2-chloro-N-(4-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 600.09 |
| Molecular Formula: | C32 H26 Cl N3 O5 S |
| Smiles: | Cc1ccc(c(c1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccccc1[Cl])=O)Nc1ccc(cc1)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0735 |
| logD: | 6.0721 |
| logSw: | -5.9594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.956 |
| InChI Key: | KBLDFMVGSQQYNQ-UHFFFAOYSA-N |