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
Available: 111 mg
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mg
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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
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