Cas no 159898-11-0 (Flazine methyl ether)
Flazine methyl ether structure
Product Name:Flazine methyl ether
CAS No:159898-11-0
MF:C18H14N2O4
MW:322.314764499664
CID:6646001
PubChem ID:131751427
Update Time:2024-03-02
Flazine methyl ether Chemical and Physical Properties
Names and Identifiers
-
- 159898-11-0
- O-Methylflazine
- Diethylaminoethyldiphenylpropyl Acetate
- DTXSID201148667
- Flazine methyl ether
- 1-[5-(methoxymethyl)uran-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
- 1-[5-(Methoxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
- CHEBI:175110
-
- Inchi： 1S/C18H14N2O4/c1-23-9-10-6-7-15(24-10)17-16-12(8-14(20-17)18(21)22)11-4-2-3-5-13(11)19-16/h2-8,19H,9H2,1H3,(H,21,22)
- InChI Key： DTVVELLZKPXBHH-UHFFFAOYSA-N
- SMILES： O1C(COC)=CC=C1C1C2=C(C=C(C(=O)O)N=1)C1C=CC=CC=1N2
Computed Properties
- Exact Mass: 322.09535693g/mol
- Monoisotopic Mass: 322.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 474
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 88.4?2
Flazine methyl ether Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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