3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanyl-3,4-dihydroquinazolin-4-one - CAS 731003-73-9
Catalog: |
BB034767 |
Product Name: |
3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanyl-3,4-dihydroquinazolin-4-one |
CAS: |
731003-73-9 |
Synonyms: |
3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one; 3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one |
IUPAC Name: | 3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one |
Description: | 3-(1-hydroxybutan-2-yl)-6,7-dimethoxy-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS# 731003-73-9 ) is a useful research chemical. |
Molecular Weight: | 310.368 |
Molecular Formula: | C14H18N2O4S |
Canonical SMILES: | CCC(CO)N1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC |
InChI: | InChI=1S/C14H18N2O4S/c1-4-8(7-17)16-13(18)9-5-11(19-2)12(20-3)6-10(9)15-14(16)21/h5-6,8,17H,4,7H2,1-3H3,(H,15,21) |
InChI Key: | NXHLWUWLYVEPPG-UHFFFAOYSA-N |
Solubility: | >46.6 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.09872823 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.09872823 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 103 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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