3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 2291-2812 |
| Compound Name: | 3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C18 H16 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(c2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5383 |
| logD: | 3.5381 |
| logSw: | -3.8498 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.962 |
| InChI Key: | HGRBRVHNIWTZAF-UHFFFAOYSA-N |