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N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-{[(3,4-dimethylphenyl)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-dihydro-1,4-benzodioxin-2-yl)methyl]-3-{[(3,4-dimethylphenyl)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: 28 mg
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mg
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$83.09
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Compound characteristics

Compound ID: K786-0414
Compound Name: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-{[(3,4-dimethylphenyl)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: 635.79
Molecular Formula: C36 H37 N5 O4 S
Smiles: Cc1ccc(cc1C)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCC1COc2ccccc2O1)=O)=S
Stereo: MIXTURE OF STEREOISOMERS
logP: 6.5814
logD: 6.5813
logSw: -5.6543
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 3
Polar surface area: 77.306
InChI Key: RPPUZINSXCRMEJ-UHFFFAOYSA-N
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