N-{5-[2-(3,4-dimethylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[2-(3,4-dimethylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
N-{5-[2-(3,4-dimethylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2900-0302 |
| Compound Name: | N-{5-[2-(3,4-dimethylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1C)S(CCc1nnc(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3116 |
| logD: | 2.4158 |
| logSw: | -4.351 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.215 |
| InChI Key: | GLQMZTVZILEWPU-UHFFFAOYSA-N |