TL;DR: (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212154-61-4) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.2104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-10-morpholin-4-yl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3-trimethoxy-10-(morpholin-4-yl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, N-[(7S)-1,2,3-trimethoxy-10-morpholin-4-yl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C25H30N2O6 |
| Molecular Weight | 454.2104 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.2104 Da |
| Heavy Atoms | 33 |
| Complexity | 844.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCOCC4)OC)OC)OC |
| InChIKey | NRAJLEJVFAYPPK-IBGZPJMESA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1212154-61-4.
The molecular formula of (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C25H30N2O6.
The molecular weight of (S)-N-(1,2,3-trimethoxy-10-morpholino-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 454.2104 g/mol.
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