N-[(4-chlorophenyl)methyl]-3-{[(2,4-dichlorophenyl)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-[(4-chlorophenyl)methyl]-3-{[(2,4-dichlorophenyl)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-[(4-chlorophenyl)methyl]-3-{[(2,4-dichlorophenyl)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: | K784-6511 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-{[(2,4-dichlorophenyl)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: | 653.03 |
| Molecular Formula: | C32 H28 Cl3 N5 O2 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1[Cl])[Cl])=S)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5083 |
| logD: | 7.5076 |
| logSw: | -6.739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.929 |
| InChI Key: | IIRSKVXGQVEULY-UHFFFAOYSA-N |