N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
Compound ID: | 0435-5649 |
Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide |
Molecular Weight: | 324.38 |
Molecular Formula: | C12 H12 N4 O3 S2 |
Smiles: | CCSc1nnc(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.8117 |
logD: | 3.165 |
logSw: | -3.9838 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.316 |
InChI Key: | AJCOMCAVYUEJOQ-UHFFFAOYSA-N |