methyl {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
Chemical Structure Depiction of
methyl {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
methyl {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate
Compound characteristics
| Compound ID: | 2897-1558 |
| Compound Name: | methyl {4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}acetate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Smiles: | COC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.67 |
| logD: | 1.2949 |
| logSw: | -2.5373 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.023 |
| InChI Key: | QTWARIQGBPTFHM-UHFFFAOYSA-N |