diethyl 2,2'-{1,3,4-thiadiazole-2,5-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}di(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate)
Chemical Structure Depiction of
diethyl 2,2'-{1,3,4-thiadiazole-2,5-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}di(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate)
diethyl 2,2'-{1,3,4-thiadiazole-2,5-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}di(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate)
Compound characteristics
| Compound ID: | 8009-1583 |
| Compound Name: | diethyl 2,2'-{1,3,4-thiadiazole-2,5-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}di(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate) |
| Molecular Weight: | 680.91 |
| Molecular Formula: | C28 H32 N4 O6 S5 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(SCC(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1211 |
| logD: | 4.0699 |
| logSw: | -5.2968 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.157 |
| InChI Key: | WWESOSUNNKUDJW-UHFFFAOYSA-N |