3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-methylbutyl)-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
3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-methylbutyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Available: 51 mg
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mg
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Compound characteristics

Compound ID: K784-9133
Compound Name: 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-methylbutyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Molecular Weight: 557.76
Molecular Formula: C32 H39 N5 O2 S
Smiles: CC(C)CCNC(c1ccc(c(c1)NC(Nc1cc(C)cc(C)c1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 6.4499
logD: 6.4499
logSw: -5.5397
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 3
Polar surface area: 61.74
InChI Key: NODXLDBHWPCDAR-UHFFFAOYSA-N
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