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Home > Imidazoles > 672949-43-8
672949-43-8 | methyl 4-({8,9-dimethoxy-2-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanoate
CAS No: 672949-43-8 Catalog No: AG00IUF1 MDL No:MFCD02187002
Product Description
Catalog Number:
AG00IUF1
Chemical Name:
methyl 4-({8,9-dimethoxy-2-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanoate
CAS Number:
672949-43-8
Molecular Formula:
C17H19N3O5S
Molecular Weight:
377.4149
MDL Number:
MFCD02187002
IUPAC Name:
methyl 4-[(8,9-dimethoxy-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanoate
InChI:
InChI=1S/C17H19N3O5S/c1-23-12-7-10-11(8-13(12)24-2)18-17(20-9-14(21)19-16(10)20)26-6-4-5-15(22)25-3/h7-8H,4-6,9H2,1-3H3
InChI Key:
CVFCZJJWGKWOIN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCSc1nc2cc(OC)c(cc2c2=NC(=O)Cn12)OC
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.415g/mol
Monoisotopic Mass:
377.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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