ethyl 4-{3-[(1,3-dimethyl-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-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Available: 56 mg
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mg
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Compound characteristics

Compound ID: 3679-2270
Compound Name: ethyl 4-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Molecular Weight: 425.51
Molecular Formula: C22 H23 N3 O4 S
Smiles: CCOC(c1ccc(cc1)n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c1C)=O
Stereo: ACHIRAL
logP: 2.5076
logD: 2.5076
logSw: -2.8033
Hydrogen bond acceptors count: 9
Polar surface area: 55.237
InChI Key: GMDCKKGIAMTZGF-UHFFFAOYSA-N
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