1,1'-[3-(4-methoxyphenyl)-6-(3-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)-6-(3-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)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1440 |
| Compound Name: | 1,1'-[3-(4-methoxyphenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C21 H17 N5 O5 S |
| Smiles: | CC(C1=C(c2cccc(c2)[N+]([O-])=O)N(C(C)=O)n2c(c3ccc(cc3)OC)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.312 |
| logD: | 3.312 |
| logSw: | -3.6497 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.34 |
| InChI Key: | XHLNSBABBGJBMO-UHFFFAOYSA-N |