4-(3-{[{2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[{2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[{2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-9957 |
| Compound Name: | 4-(3-{[{2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C23 H22 N4 O6 S |
| Smiles: | C\C(CCc1ccc2c(c1)OCO2)=N/NC(=N)SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7333 |
| logD: | 2.7333 |
| logSw: | -3.0904 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.737 |
| InChI Key: | YKHVUZBACUBZFM-IBGZPJMESA-N |