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750599-38-3 | 2-cyano-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]acetamide
CAS No: 750599-38-3 Catalog No: AG019J93 MDL No:MFCD06335075
Product Description
Catalog Number:
AG019J93
Chemical Name:
2-cyano-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
750599-38-3
Molecular Formula:
C18H19N3OS
Molecular Weight:
325.4280
MDL Number:
MFCD06335075
IUPAC Name:
2-cyano-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C18H19N3OS/c19-11-10-17(22)21-18-20-16(12-23-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,12-13H,1-5,10H2,(H,20,21,22)
InChI Key:
CZTPQGAFWSPAST-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1ccc(cc1)C1CCCCC1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.43g/mol
Monoisotopic Mass:
325.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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