2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Chemical Structure Depiction of
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Available: 115 mg
Amount:
mg
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Compound characteristics

Compound ID: G864-0190
Compound Name: 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Molecular Weight: 472.61
Molecular Formula: C27 H28 N4 O2 S
Smiles: C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCC(CC1)Cc1ccccc1)=O
Stereo: ACHIRAL
logP: 4.7061
logD: 4.7061
logSw: -4.7894
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 50.1
InChI Key: XGMMCJLCAPYSCK-UHFFFAOYSA-N
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