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Home > Imidazoles > 672949-31-4
672949-31-4 | 2-({8,9-dimethoxy-2-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetonitrile
CAS No: 672949-31-4 Catalog No: AG00IQVR MDL No:MFCD02186874
Product Description
Catalog Number:
AG00IQVR
Chemical Name:
2-({8,9-dimethoxy-2-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetonitrile
CAS Number:
672949-31-4
Molecular Formula:
C14H12N4O3S
Molecular Weight:
316.3351
MDL Number:
MFCD02186874
IUPAC Name:
2-[(8,9-dimethoxy-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile
InChI:
InChI=1S/C14H12N4O3S/c1-20-10-5-8-9(6-11(10)21-2)16-14(22-4-3-15)18-7-12(19)17-13(8)18/h5-6H,4,7H2,1-2H3
InChI Key:
GBDYXNMPXNTMIP-UHFFFAOYSA-N
SMILES:
N#CCSc1nc2cc(OC)c(cc2c2=NC(=O)Cn12)OC
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.335g/mol
Monoisotopic Mass:
316.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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