(S)-7-Methoxy-2-methyl-6-((tetrahydrofuran-3-yl)oxy)quinazolin-4(3H)-one - CAS 2230840-12-5
Catalog: |
BB054157 |
Product Name: |
(S)-7-Methoxy-2-methyl-6-((tetrahydrofuran-3-yl)oxy)quinazolin-4(3H)-one |
CAS: |
2230840-12-5 |
Synonyms: |
4(3H)-Quinazolinone, 7-methoxy-2-methyl-6-[[(3S)-tetrahydro-3-furanyl]oxy]- |
IUPAC Name: | 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one |
Molecular Weight: | 276.29 |
Molecular Formula: | C14H16N2O4 |
Canonical SMILES: | CC1=NC(=O)C2=CC(C(=CC2=N1)OC)OC3CCOC3 |
InChI: | InChI=1S/C14H16N2O4/c1-8-15-11-6-12(18-2)13(5-10(11)14(17)16-8)20-9-3-4-19-7-9/h5-6,9,13H,3-4,7H2,1-2H3/t9-,13?/m0/s1 |
InChI Key: | ZQJSEOXBTJAISO-LLTODGECSA-N |
Boiling Point: | 460.7±55.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.40±0.1 g/cm3 (Predicted) |
Complexity: | 560 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.111007 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.111007 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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