4-methoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
4-methoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2461 |
| Compound Name: | 4-methoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C18 H16 N4 O5 S |
| Smiles: | COc1ccc(Cc2nnc(NC(c3ccc(c(c3)[N+]([O-])=O)OC)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2175 |
| logD: | 2.3163 |
| logSw: | -3.6558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.353 |
| InChI Key: | ZKUVLNBSRHPQAB-UHFFFAOYSA-N |