3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(furan-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-[(furan-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-[(furan-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: | K781-1434 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-N-[(furan-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: | 608.55 |
| Molecular Formula: | C30 H27 Cl2 N5 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1[Cl])[Cl])=S)C(NCc1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6642 |
| logD: | 6.6636 |
| logSw: | -6.4819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.678 |
| InChI Key: | WAKZDNLUQRSUEF-UHFFFAOYSA-N |