dimethyl 4,4'-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Chemical Structure Depiction of
dimethyl 4,4'-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
dimethyl 4,4'-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Compound characteristics
| Compound ID: | 8008-2851 |
| Compound Name: | dimethyl 4,4'-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C23 H20 N6 O6 S3 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc2n1nc(SCC(Nc1ccc(cc1)C(=O)OC)=O)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.486 |
| logD: | 3.4859 |
| logSw: | -3.7453 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.311 |
| InChI Key: | BSNFKWXCKXWMFJ-UHFFFAOYSA-N |