methyl 4-(3-{[N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

Chemical Structure Depiction of
methyl 4-(3-{[N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Available: 36 mg
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mg
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Compound characteristics

Compound ID: 8009-4195
Compound Name: methyl 4-(3-{[N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Molecular Weight: 441.46
Molecular Formula: C21 H19 N3 O6 S
Smiles: CN\C(=N/c1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O
Stereo: RACEMIC MIXTURE
logP: 2.4152
logD: 2.4055
logSw: -2.9652
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 86.479
InChI Key: HDOWSSNVHWCLKJ-KRWDZBQOSA-N
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