2-{[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
2-{[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Compound characteristics
Compound ID: | 4676-0750 |
Compound Name: | 2-{[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid |
Molecular Weight: | 386.38 |
Molecular Formula: | C18 H14 N2 O6 S |
Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C(CC(C1=O)Sc1ccccc1C(O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4919 |
logD: | -0.1195 |
logSw: | -2.7539 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.345 |
InChI Key: | FPTHAWWRKWQGQR-HNNXBMFYSA-N |