propan-2-yl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
propan-2-yl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
propan-2-yl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 1683-6578 |
| Compound Name: | propan-2-yl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 245.25 |
| Molecular Formula: | C8 H11 N3 O4 S |
| Smiles: | CC(C)OC(CSC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0087 |
| logD: | -0.0359 |
| logSw: | -2.0598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.163 |
| InChI Key: | NPSCIJRTKCAYFD-UHFFFAOYSA-N |