ethyl (2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
ethyl (2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
Compound ID: | 4299-0154 |
Compound Name: | ethyl (2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
Molecular Weight: | 517.4 |
Molecular Formula: | C23 H21 Br N2 O5 S |
Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCC(=O)OCC)\C(NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9653 |
logD: | 3.5902 |
logSw: | -4.0595 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.973 |
InChI Key: | PTDZIQRXTMGTDL-UHFFFAOYSA-N |