2-({1-[3-(methoxycarbonyl)-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-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
2-({1-[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 5697-0340 |
| Compound Name: | 2-({1-[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C20 H18 N2 O6 S2 |
| Smiles: | COC(c1c2CCCCc2sc1N1C(CC(C1=O)Sc1c(cccn1)C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5102 |
| logD: | 0.412 |
| logSw: | -2.5984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.908 |
| InChI Key: | CBDKWRIEAZFUJT-CYBMUJFWSA-N |