sodium--S-(1-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-1-oxobutan-2-yl) sulfurothioate (1/1)
Chemical Structure Depiction of
sodium--S-(1-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-1-oxobutan-2-yl) sulfurothioate (1/1)
sodium--S-(1-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-1-oxobutan-2-yl) sulfurothioate (1/1)
Compound characteristics
| Compound ID: | 8007-8631 |
| Compound Name: | sodium--S-(1-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-1-oxobutan-2-yl) sulfurothioate (1/1) |
| Molecular Weight: | 429.51 |
| Molecular Formula: | C15 H20 N O6 S3 |
| Salt: | Na+ |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)SS([O-])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8789 |
| logD: | -0.4448 |
| logSw: | -2.4376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.029 |
| InChI Key: | DTMSVTKJBGYCFJ-JTQLQIEISA-M |