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Home > Pyridines > 477847-84-0
477847-84-0 | 2-{3-[4-methyl-2-(pyridin-2-yl)-1,3-thiazol-5-yl]-3-oxo-1-phenylpropyl}propanedinitrile
CAS No: 477847-84-0 Catalog No: AG00IN4S MDL No:MFCD02186951
Product Description
Catalog Number:
AG00IN4S
Chemical Name:
2-{3-[4-methyl-2-(pyridin-2-yl)-1,3-thiazol-5-yl]-3-oxo-1-phenylpropyl}propanedinitrile
CAS Number:
477847-84-0
Molecular Formula:
C21H16N4OS
Molecular Weight:
372.4429
MDL Number:
MFCD02186951
IUPAC Name:
2-[3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3-oxo-1-phenylpropyl]propanedinitrile
InChI:
InChI=1S/C21H16N4OS/c1-14-20(27-21(25-14)18-9-5-6-10-24-18)19(26)11-17(16(12-22)13-23)15-7-3-2-4-8-15/h2-10,16-17H,11H2,1H3
InChI Key:
ZPNFWAMHAJIWAR-UHFFFAOYSA-N
SMILES:
N#CC(C(c1ccccc1)CC(=O)c1sc(nc1C)c1ccccn1)C#N
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.446g/mol
Monoisotopic Mass:
372.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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