3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | 8012-9845 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc2n1N=C(CS2)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1274 |
| logD: | 5.1144 |
| logSw: | -5.1703 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.815 |
| InChI Key: | PISKMFHQKAUFSR-UHFFFAOYSA-N |