1,1'-{3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Chemical Structure Depiction of
1,1'-{3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
1,1'-{3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1306 |
| Compound Name: | 1,1'-{3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one) |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | CC(C1=C(c2ccc(cc2)[N+]([O-])=O)N(C(C)=O)n2c(Cc3ccc(cc3)OC)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9504 |
| logD: | 2.9504 |
| logSw: | -3.3564 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.316 |
| InChI Key: | RMTFITRKQDVUQK-UHFFFAOYSA-N |