propan-2-yl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
Chemical Structure Depiction of
propan-2-yl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
propan-2-yl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate
Compound characteristics
| Compound ID: | 1683-6560 |
| Compound Name: | propan-2-yl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)glycinate |
| Molecular Weight: | 244.27 |
| Molecular Formula: | C8 H12 N4 O3 S |
| Smiles: | CC(C)OC(CNC1C(NC(NN=1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1868 |
| logD: | -1.1175 |
| logSw: | -2.0779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.805 |
| InChI Key: | AALJFFRFEBGHPM-UHFFFAOYSA-N |