(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Compound characteristics
| Compound ID: | 2897-1544 |
| Compound Name: | (4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCC(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2009 |
| logD: | -2.0361 |
| logSw: | -2.8904 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.952 |
| InChI Key: | PRRMVKBOOKJVGR-UHFFFAOYSA-N |