[4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
Chemical Structure Depiction of
[4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
[4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 3699-1663 |
| Compound Name: | [4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C25 H24 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2cc(CC=C)c(c(c2)OC)OCC(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5232 |
| logD: | -0.7137 |
| logSw: | -3.7835 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.039 |
| InChI Key: | HZDDPFLBASSZAM-UHFFFAOYSA-N |