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)-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
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)-N-(2-phenylethyl)benzamide
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)-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K786-0418 |
| Compound Name: | 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)-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 591.78 |
| Molecular Formula: | C35 H37 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCc1ccccc1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6515 |
| logD: | 6.6514 |
| logSw: | -5.5735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.468 |
| InChI Key: | BKYRXJVHVKQXAI-UHFFFAOYSA-N |