(2,6-dibromo-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(2,6-dibromo-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
(2,6-dibromo-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 2817-0772 |
| Compound Name: | (2,6-dibromo-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 584.24 |
| Molecular Formula: | C21 H16 Br2 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)[Br])OCC(O)=O)[Br])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8453 |
| logD: | -0.3916 |
| logSw: | -4.0866 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.408 |
| InChI Key: | SDZMQYJEBCOAMM-UHFFFAOYSA-N |