2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 5679-0020 |
| Compound Name: | 2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C19 H15 N3 O4 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C(CC(C1=O)Sc1c(cccn1)C(O)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4302 |
| logD: | 0.332 |
| logSw: | -2.7497 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.791 |
| InChI Key: | UHHLWZKOHKGYSN-CQSZACIVSA-N |