N-{5-[(4-chlorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
N-{5-[(4-chlorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K781-0793 |
| Compound Name: | N-{5-[(4-chlorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 545.06 |
| Molecular Formula: | C29 H25 Cl N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccs1)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7498 |
| logD: | 5.6466 |
| logSw: | -6.0798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.592 |
| InChI Key: | VQVBCNCNAXDLKV-UHFFFAOYSA-N |