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918880-58-7 | Benzoic acid, 2-(2-cyano-4-thiazolo[5,4-d]pyrimidin-2-ylphenoxy)-
CAS No: 918880-58-7 Catalog No: AG006AO1 MDL No:
Product Description
Catalog Number:
AG006AO1
Chemical Name:
Benzoic acid, 2-(2-cyano-4-thiazolo[5,4-d]pyrimidin-2-ylphenoxy)-
CAS Number:
918880-58-7
Molecular Formula:
C19H10N4O3S
Molecular Weight:
374.3727
IUPAC Name:
2-[2-cyano-4-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenoxy]benzoic acid
InChI:
InChI=1S/C19H10N4O3S/c20-8-12-7-11(17-23-14-9-21-10-22-18(14)27-17)5-6-15(12)26-16-4-2-1-3-13(16)19(24)25/h1-7,9-10H,(H,24,25)
InChI Key:
YQMYXIBEOGCOQS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccccc1C(=O)O)c1sc2c(n1)cncn2
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.047g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.374g/mol
Monoisotopic Mass:
374.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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