N-[3-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[3-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
N-[3-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V031-2544 |
| Compound Name: | N-[3-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide |
| Molecular Weight: | 615.66 |
| Molecular Formula: | C32 H29 N3 O8 S |
| Salt: | not_available |
| Smiles: | COc1ccc(C(Nc2cccc(c2)SC2=C(C(N(Cc3ccco3)C2=O)=O)Nc2ccc(cc2OC)OC)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9539 |
| logD: | 4.9391 |
| logSw: | -4.5929 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.093 |
| InChI Key: | DOKIIYXTDYUZGT-UHFFFAOYSA-N |