TL;DR: (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide (CAS 1212358-19-4) is a chemical compound with molecular formula C20H23N3O3 and molecular weight 353.17395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,9R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
| Molecular Formula | C20H23N3O3 |
| Molecular Weight | 353.17395 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.17395 Da |
| Heavy Atoms | 26 |
| Complexity | 622.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
| InChIKey | QLXLSBQEBNAKMO-HOTGVXAUSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide. Following Lipinski's Rule of Five, (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is 1212358-19-4.
The molecular formula of (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is C20H23N3O3.
The molecular weight of (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is 353.17395 g/mol.
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