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
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
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 |