ethyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate
Chemical Structure Depiction of
ethyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate
ethyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate
Compound characteristics
| Compound ID: | 3714-0281 |
| Compound Name: | ethyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C17 H18 N2 O6 S |
| Smiles: | CCOC(COc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5645 |
| logD: | 1.1389 |
| logSw: | -2.4054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.58 |
| InChI Key: | VBIGJNBCRWVBRC-UHFFFAOYSA-N |