1,1'-[3-(4-methylphenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(propan-1-one)
Chemical Structure Depiction of
1,1'-[3-(4-methylphenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(propan-1-one)
1,1'-[3-(4-methylphenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(propan-1-one)
Compound characteristics
| Compound ID: | G857-1424 |
| Compound Name: | 1,1'-[3-(4-methylphenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(propan-1-one) |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CCC(C1=C(c2cccc(c2)[N+]([O-])=O)N(C(CC)=O)n2c(c3ccc(C)cc3)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.746 |
| logD: | 4.746 |
| logSw: | -4.6156 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.221 |
| InChI Key: | KQBRZKQXPYRNAY-UHFFFAOYSA-N |