4-[(2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

Chemical Structure Depiction of
4-[(2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Available: 1911 mg
Amount:
mg
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Compound characteristics

Compound ID: 2817-0094
Compound Name: 4-[(2-bromo-4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Molecular Weight: 565.44
Molecular Formula: C27 H21 Br N2 O5 S
Smiles: CCc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)\C(NC1=S)=O)=O
Stereo: ACHIRAL
logP: 5.5127
logD: 2.5412
logSw: -5.3738
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 75.951
InChI Key: CUOVGYVLKQOVPT-UHFFFAOYSA-N
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