ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Chemical Structure Depiction of
ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Available: 3 mg
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mg
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Compound characteristics

Compound ID: 3288-0053
Compound Name: ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Molecular Weight: 517.6
Molecular Formula: C28 H27 N3 O5 S
Smiles: CCOC(c1ccc(cc1)n1c(C)cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)OCC)=S)=O)c1C)=O
Stereo: ACHIRAL
logP: 4.713
logD: 4.6573
logSw: -4.4427
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 70.77
InChI Key: HBNMEXRPEWECMJ-UHFFFAOYSA-N
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