3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | G786-0625 |
| Compound Name: | 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | COc1ccc(Cc2nnc3n2N=C(CS3)c2ccc(cc2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1717 |
| logD: | 3.1561 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.577 |
| InChI Key: | JZMDUQAFBZNYBI-UHFFFAOYSA-N |