3-tert-butyl-7-(3-nitrophenyl)-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-(3-nitrophenyl)-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
3-tert-butyl-7-(3-nitrophenyl)-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Compound characteristics
| Compound ID: | 3346-2476 |
| Compound Name: | 3-tert-butyl-7-(3-nitrophenyl)-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SCC(c1cccc(c1)[N+]([O-])=O)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5014 |
| logD: | 2.6587 |
| logSw: | -3.7635 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.511 |
| InChI Key: | KUDVIKFFAPJDLR-UHFFFAOYSA-N |