[2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy]acetic acid
Chemical Structure Depiction of
[2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy]acetic acid
[2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 3699-1271 |
| Compound Name: | [2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy]acetic acid |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C24 H22 N2 O7 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2cc(CC=C)c(c(c2)OC)OCC(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1366 |
| logD: | -1.1003 |
| logSw: | -3.5744 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.459 |
| InChI Key: | OUOUIGTUCVMDKL-UHFFFAOYSA-N |