pentyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
pentyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 1683-2875 |
| Compound Name: | pentyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C10 H15 N3 O4 S |
| Smiles: | CCCCCOC(CSC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1357 |
| logD: | 1.1085 |
| logSw: | -1.8874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.779 |
| InChI Key: | MBEUOYQJKDMOBL-UHFFFAOYSA-N |