1.1 Name
2-[4-(dimethylamino)butyl]-6,7-dimethoxy-1-methyl-4-quinazolinone
1.2 CAS No.1023310-40-8
1.4 Molecular FormulaC17H25N3O3 (isomer)
1.7 Canonical Smiles :CN1C2=CC(=C(C=C2C(=O)N=C1CCCCN(C)C)OC)OC
1.8 Isomers Smiles: CN1C2=CC(=C(C=C2C(=O)N=C1CCCCN(C)C)OC)OC
3. Computational chemical data
Molecular Weight: 319.4g/mol
Molecular Formula: C17H25N3O3
Compound Is Canonicalized: True
XLogP3-AA: 1.5
Exact Mass: 319.18959167
Monoisotopic Mass: 319.18959167
Complexity: 439
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 54.4
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
和甯医药技术(四川)有限公司
联系商家时请提及chemicalbook,有助于交易顺利完成!