methyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
methyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 1682-4369 |
| Compound Name: | methyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 217.2 |
| Molecular Formula: | C6 H7 N3 O4 S |
| Smiles: | COC(CSC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8776 |
| logD: | -0.9047 |
| logSw: | -1.3548 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.905 |
| InChI Key: | VRFCSDSVVDDINV-UHFFFAOYSA-N |