N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea

Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea
Available: 41 mg
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mg
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Compound characteristics

Compound ID: K784-9527
Compound Name: N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea
Molecular Weight: 569.77
Molecular Formula: C33 H39 N5 O2 S
Smiles: Cc1cc(C)cc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCCCCC1)=O)=S
Stereo: MIXTURE OF STEREOISOMERS
logP: 6.2505
logD: 6.2504
logSw: -5.2942
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 2
Polar surface area: 54.193
InChI Key: ZXOYOPOFOOSKSU-UHFFFAOYSA-N
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