ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate

Chemical Structure Depiction of
ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate
Available: 234 mg
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mg
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Compound characteristics

Compound ID: D461-0714
Compound Name: ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate
Molecular Weight: 488.61
Molecular Formula: C27 H28 N4 O3 S
Smiles: CCOC(CSC1=NN(Cc2ccccc2C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O
Stereo: ACHIRAL
logP: 5.6588
logD: 5.6414
logSw: -5.4523
Hydrogen bond acceptors count: 8
Polar surface area: 62.727
InChI Key: FIWILFZSSIGQBR-UHFFFAOYSA-N
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