4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8007-4955 |
| Compound Name: | 4-(3-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C19 H15 F N2 O5 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)SCC(Nc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0775 |
| logD: | -0.3177 |
| logSw: | -2.6973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.715 |
| InChI Key: | KIRGZCLTJVRQSB-HNNXBMFYSA-N |