3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-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-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-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: | K784-4921 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 612.58 |
| Molecular Formula: | C30 H31 Cl2 N5 O3 S |
| Smiles: | C1CC(CNC(c2ccc(c(c2)NC(Nc2ccc(cc2[Cl])[Cl])=S)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4641 |
| logD: | 5.4635 |
| logSw: | -5.975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.583 |
| InChI Key: | GUCKEZNCJJNHCW-UHFFFAOYSA-N |