ethyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Chemical Structure Depiction of
ethyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
ethyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Compound characteristics
| Compound ID: | 1682-3412 |
| Compound Name: | ethyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate |
| Molecular Weight: | 244.27 |
| Molecular Formula: | C8 H12 N4 O3 S |
| Smiles: | CCOC(C(C)NC1C(NC(NN=1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4384 |
| logD: | -0.8462 |
| logSw: | -2.196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.884 |
| InChI Key: | FBOALDPAUMUIPY-BYPYZUCNSA-N |