2-(benzylsulfanyl)-5-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole
2-(benzylsulfanyl)-5-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | 5696-0044 |
| Compound Name: | 2-(benzylsulfanyl)-5-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C15 H15 N5 O2 S3 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCSc1nnc(SCc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0495 |
| logD: | 3.0495 |
| logSw: | -3.0741 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.621 |
| InChI Key: | BFAOXYIYAKLMTL-UHFFFAOYSA-N |