4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Chemical Structure Depiction of
4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | 5628-0636 |
| Compound Name: | 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C13 H14 N4 O6 S |
| Smiles: | COCc1nnc(NC(c2cc(c(cc2[N+]([O-])=O)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.409 |
| logD: | -0.8041 |
| logSw: | -2.4924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.135 |
| InChI Key: | NRNJRMUTJQTSSO-UHFFFAOYSA-N |