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-(1-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-(1-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-(1-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K786-0424 |
| 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-(1-phenylethyl)benzamide |
| Molecular Weight: | 591.78 |
| Molecular Formula: | C35 H37 N5 O2 S |
| Smiles: | CC(c1ccccc1)NC(c1ccc(c(c1)NC(Nc1ccc(C)c(C)c1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9775 |
| logD: | 6.9774 |
| logSw: | -5.6013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.79 |
| InChI Key: | ZSNXZANYDXRGTI-UHFFFAOYSA-N |