methyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
Chemical Structure Depiction of
methyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
methyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
Compound characteristics
Compound ID: | 2897-1546 |
Compound Name: | methyl {4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate |
Molecular Weight: | 350.35 |
Molecular Formula: | C15 H14 N2 O6 S |
Smiles: | COC(COc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1OC)=O |
Stereo: | ACHIRAL |
logP: | 0.9531 |
logD: | 0.5275 |
logSw: | -2.2199 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.421 |
InChI Key: | ZWGAJSMBPUDORL-UHFFFAOYSA-N |