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851169-61-4 | 2-cyano-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
CAS No: 851169-61-4 Catalog No: AG019ISQ MDL No:MFCD06654976
Product Description
Catalog Number:
AG019ISQ
Chemical Name:
2-cyano-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
851169-61-4
Molecular Formula:
C18H21N3OS
Molecular Weight:
327.4438
MDL Number:
MFCD06654976
IUPAC Name:
2-cyano-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C18H21N3OS/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-13-23-18(20-16)21-17(22)11-12-19/h7-10,13H,2-6,11H2,1H3,(H,20,21,22)
InChI Key:
UJOYETBRRMXPGI-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1csc(n1)NC(=O)CC#N
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.446g/mol
Monoisotopic Mass:
327.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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