TL;DR: Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl- (CAS 122438-06-6) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-phenylmethanone
Also Known As: (2-(4-Morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenylmethanone, Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl-, (2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-phenylmethanone, [2-(Morpholin-4-yl)-6-nitro-2H-1-benzopyran-3-yl](phenyl)methanone, BRN 6007374
| Molecular Formula | C20H18N2O5 |
| Molecular Weight | 366.12158 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.12158 Da |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
| SMILES | C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 |
| InChIKey | QSXUIEUSTUHSFC-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl-. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl-. Following Lipinski's Rule of Five, Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl- is 122438-06-6.
The molecular formula of Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl- is C20H18N2O5.
The molecular weight of Methanone, (2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl)phenyl- is 366.12158 g/mol.
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