methyl (4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
methyl (4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
Compound ID: | 2897-1560 |
Compound Name: | methyl (4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate |
Molecular Weight: | 454.5 |
Molecular Formula: | C23 H22 N2 O6 S |
Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCC(=O)OC)\C(NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7222 |
logD: | 2.3471 |
logSw: | -3.2813 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.023 |
InChI Key: | DHGMHVHSFNSNTI-UHFFFAOYSA-N |