4,5-dimethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Chemical Structure Depiction of
4,5-dimethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
4,5-dimethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Compound characteristics
Compound ID: | Y032-3709 |
Compound Name: | 4,5-dimethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide |
Molecular Weight: | 400.43 |
Molecular Formula: | C14 H16 N4 O6 S2 |
Smiles: | COCCSc1nnc(NC(c2cc(c(cc2[N+]([O-])=O)OC)OC)=O)s1 |
Stereo: | ACHIRAL |
logP: | 2.1694 |
logD: | 1.275 |
logSw: | -2.8777 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 102.92 |
InChI Key: | HHTHVECAWCHRTK-UHFFFAOYSA-N |