(2,6-dichloro-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(2,6-dichloro-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
(2,6-dichloro-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 2897-0439 |
| Compound Name: | (2,6-dichloro-4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 495.34 |
| Molecular Formula: | C21 H16 Cl2 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)[Cl])OCC(O)=O)[Cl])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1756 |
| logD: | -0.0614 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.408 |
| InChI Key: | PWFOEBYNANSLCA-UHFFFAOYSA-N |