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

Chemical Structure Depiction of
ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate
Available: 109 mg
Amount:
mg
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Compound characteristics

Compound ID: G856-1296
Compound Name: ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate
Molecular Weight: 447.43
Molecular Formula: C21 H16 F3 N3 O3 S
Smiles: CCOC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)C(F)(F)F)=O)=O
Stereo: ACHIRAL
logP: 4.1157
logD: 4.1157
logSw: -4.2346
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 53.548
InChI Key: GRCUSBGMVRSRES-UHFFFAOYSA-N
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