4,5-dimethoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Chemical Structure Depiction of
4,5-dimethoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
4,5-dimethoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2485 |
| Compound Name: | 4,5-dimethoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C19 H18 N4 O6 S |
| Smiles: | COc1ccc(Cc2nnc(NC(c3cc(c(cc3[N+]([O-])=O)OC)OC)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2396 |
| logD: | 1.6806 |
| logSw: | -3.7967 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.983 |
| InChI Key: | GINVZBRCAZJSPP-UHFFFAOYSA-N |