ethyl 2-{2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate

Chemical Structure Depiction of
ethyl 2-{2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Available: 171 mg
Amount:
mg
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Compound characteristics

Compound ID: G864-0047
Compound Name: ethyl 2-{2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Molecular Weight: 450.52
Molecular Formula: C23 H22 N4 O4 S
Smiles: CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccccc1C(=O)OCC)=O
Stereo: ACHIRAL
logP: 3.5547
logD: 3.5464
logSw: -3.7817
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 76.931
InChI Key: ZTWGFICJRCBJME-UHFFFAOYSA-N
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