methyl (4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
methyl (4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 2897-1567 |
| Compound Name: | methyl (4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C23 H22 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCC(=O)OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1605 |
| logD: | 1.7855 |
| logSw: | -2.9956 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.147 |
| InChI Key: | UCJQNOVEEMPMLI-UHFFFAOYSA-N |