4-methyl-N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
4-methyl-N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Compound characteristics
Compound ID: | 2900-0274 |
Compound Name: | 4-methyl-N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide |
Molecular Weight: | 446.5 |
Molecular Formula: | C19 H18 N4 O5 S2 |
Smiles: | Cc1ccc(cc1)S(CCc1nnc(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7735 |
logD: | 1.8777 |
logSw: | -3.9957 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 109.215 |
InChI Key: | NVQWPHHPVPTVDN-UHFFFAOYSA-N |