N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2332-2385 |
| Compound Name: | N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide |
| Molecular Weight: | 431.38 |
| Molecular Formula: | C17 H13 N5 O7 S |
| Smiles: | COc1ccc(c(c1)OC)c1nnc(NC(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5702 |
| logD: | 3.0201 |
| logSw: | -4.0577 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.239 |
| InChI Key: | CNIUFZBFZSKRDJ-UHFFFAOYSA-N |