methyl 2-(2-{[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

Chemical Structure Depiction of
methyl 2-(2-{[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Available: 7 mg
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mg
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Compound characteristics

Compound ID: K292-1358
Compound Name: methyl 2-(2-{[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Molecular Weight: 594.67
Molecular Formula: C28 H26 N4 O7 S2
Smiles: COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)=O)=O
Stereo: ACHIRAL
logP: 2.9138
logD: 2.9055
logSw: -3.5109
Hydrogen bond acceptors count: 13
Hydrogen bond donors count: 2
Polar surface area: 111.98
InChI Key: UVCMXMGFLRYHNT-UHFFFAOYSA-N
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