N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Available: 86 mg
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mg
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Compound characteristics

Compound ID: G856-0948
Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Molecular Weight: 512.59
Molecular Formula: C28 H24 N4 O4 S
Smiles: Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O
Stereo: ACHIRAL
logP: 4.0558
logD: 4.0557
logSw: -4.1616
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 72.09
InChI Key: WRDLNEUMLBNKCC-UHFFFAOYSA-N
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