butyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
Chemical Structure Depiction of
butyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
butyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
Compound characteristics
| Compound ID: | 1682-3376 |
| Compound Name: | butyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C9 H14 N4 O3 S |
| Smiles: | CCCCOC(CNC1C(NC(NN=1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.802 |
| logD: | -0.5022 |
| logSw: | -1.7885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.42 |
| InChI Key: | UWOCUWLSBMSEME-UHFFFAOYSA-N |