dimethyl 4,4'-[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis(sulfanediylmethylene)]dibenzoate
Chemical Structure Depiction of
dimethyl 4,4'-[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis(sulfanediylmethylene)]dibenzoate
dimethyl 4,4'-[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis(sulfanediylmethylene)]dibenzoate
Compound characteristics
| Compound ID: | 8008-2289 |
| Compound Name: | dimethyl 4,4'-[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis(sulfanediylmethylene)]dibenzoate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C21 H18 N4 O4 S3 |
| Smiles: | COC(c1ccc(CSc2nnc3n2nc(SCc2ccc(cc2)C(=O)OC)s3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.135 |
| logD: | 4.135 |
| logSw: | -4.2294 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.012 |
| InChI Key: | UESBEJPJLSOOHH-UHFFFAOYSA-N |