3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | G786-0589 |
| Compound Name: | 3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C17 H13 N5 O2 S |
| Smiles: | Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2896 |
| logD: | 4.285 |
| logSw: | -4.3992 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.34 |
| InChI Key: | MZCXBUDBTCFOMC-UHFFFAOYSA-N |