N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide

Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Available: 72 mg
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mg
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Compound characteristics

Compound ID: K786-0263
Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Molecular Weight: 637.8
Molecular Formula: C36 H39 N5 O4 S
Smiles: Cc1ccc(cc1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCc1ccc(c(c1)OC)OC)=O)=S
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.6045
logD: 5.6044
logSw: -5.3485
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 3
Polar surface area: 76.729
InChI Key: UIEKNDBOXHODSK-UHFFFAOYSA-N
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