4-(3-{[{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4143-0067 |
| Compound Name: | 4-(3-{[{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 440.43 |
| Molecular Formula: | C20 H16 N4 O6 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)SC(=N)N/N=C/c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0979 |
| logD: | 2.0979 |
| logSw: | -2.975 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.369 |
| InChI Key: | BFJZKGUURAWRPN-INIZCTEOSA-N |