TL;DR: 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide (CAS 1612777-85-1) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
Also Known As: 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide, (E)-3,4,5-trimethoxy-N'-((4-oxo-4H-chromen-3-yl)methylene)benzohydrazide, 3,4,5-trimethoxy-N'-[(4-oxo-4H-chromen-3-yl)methylene]benzohydrazide, (E)-3,4,5-Trimethoxy-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide, 3,4,5-trimethoxy-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
| Molecular Formula | C20H18N2O6 |
| Molecular Weight | 382.1165 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1165 Da |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=COC3=CC=CC=C3C2=O |
| InChIKey | UTNQHSMUJZUFMT-UFFVCSGVSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide 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 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide is 1612777-85-1.
The molecular formula of 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide is C20H18N2O6.
The molecular weight of 3,4,5-trimethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide is 382.1165 g/mol.
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