2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)bis(sulfanediyl)]bis{N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide}
Chemical Structure Depiction of
2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)bis(sulfanediyl)]bis{N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide}
2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)bis(sulfanediyl)]bis{N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide}
Compound characteristics
| Compound ID: | 8017-2749 |
| Compound Name: | 2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)bis(sulfanediyl)]bis{N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide} |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C24 H20 N4 O6 S3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1c(C#N)c(SCC(NCc2ccc3c(c2)OCO3)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5705 |
| logD: | 3.5705 |
| logSw: | -3.9806 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.548 |
| InChI Key: | GAIFCDNUOGOKCZ-UHFFFAOYSA-N |