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1012057-25-8 | Heptanoic acid, 7-[(3,4-dihydro-7-methoxy-4-oxo-6-quinazolinyl)oxy]-, ethyl ester
CAS No: 1012057-25-8 Catalog No: AG0003Y7 MDL No:MFCD16877550
Product Description
Catalog Number:
AG0003Y7
Chemical Name:
Heptanoic acid, 7-[(3,4-dihydro-7-methoxy-4-oxo-6-quinazolinyl)oxy]-, ethyl ester
CAS Number:
1012057-25-8
Molecular Formula:
C18H24N2O5
Molecular Weight:
348.3936
MDL Number:
MFCD16877550
IUPAC Name:
ethyl 7-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]heptanoate
InChI:
InChI=1S/C18H24N2O5/c1-3-24-17(21)8-6-4-5-7-9-25-16-10-13-14(11-15(16)23-2)19-12-20-18(13)22/h10-12H,3-9H2,1-2H3,(H,19,20,22)
InChI Key:
LGJBBWIUNZYXNM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1cc2c(=O)[nH]cnc2cc1OC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.399g/mol
Monoisotopic Mass:
348.169g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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