[4-{[1-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-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: | 3699-1326 |
| Compound Name: | [4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cc(CC=C)c(c(c2)OC)OCC(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0849 |
| logD: | -0.152 |
| logSw: | -4.1993 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.915 |
| InChI Key: | USCAZKBPMRKHHR-UHFFFAOYSA-N |