N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | V029-5567 |
| Compound Name: | N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 671.73 |
| Molecular Formula: | C35 H33 N3 O9 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1cc(c(c(c1)OC)OC)OC)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0798 |
| logD: | 5.0796 |
| logSw: | -4.9682 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.081 |
| InChI Key: | RQZPTCHGVONNRB-UHFFFAOYSA-N |