N-[(4-chlorophenyl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
N-[(4-chlorophenyl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | N115-0087 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C24 H27 Cl N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)c1ccc(cn1)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.479 |
| logD: | 3.4787 |
| logSw: | -3.9478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.939 |
| InChI Key: | FWSZNDFKEHPNHZ-YFVAEKQCSA-N |