N-[(2-chlorophenyl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
N-[(2-chlorophenyl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Compound characteristics
| Compound ID: | K786-1168 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)C(NCc1ccccc1[Cl])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6739 |
| logD: | 4.6739 |
| logSw: | -4.9184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.249 |
| InChI Key: | AYLXRDVAFCQKAG-UHFFFAOYSA-N |