2-({1-[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-({1-[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
2-({1-[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
Compound characteristics
Compound ID: | 5679-0019 |
Compound Name: | 2-({1-[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid |
Molecular Weight: | 420.46 |
Molecular Formula: | C18 H16 N2 O6 S2 |
Smiles: | Cc1c(C(=O)OC)c(N2C(CC(C2=O)Sc2c(cccn2)C(O)=O)=O)sc1C |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0526 |
logD: | -0.0456 |
logSw: | -2.6112 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.988 |
InChI Key: | GIDXZXAABGJBOC-LLVKDONJSA-N |