2-{[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
2-{[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | IB06-8895 |
| Compound Name: | 2-{[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | CC(c1ccccc1)N1C(CC(C1=O)Sc1c(cccn1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.12 |
| logD: | 0.03 |
| logSw: | -2.95 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.14 |
| InChI Key: | OZFMZIOAGPZXNE-UHFFFAOYSA-N |