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546090-53-3 | N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-cyanoacetamide
CAS No: 546090-53-3 Catalog No: AG019IUI MDL No:MFCD03394766
Product Description
Catalog Number:
AG019IUI
Chemical Name:
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-cyanoacetamide
CAS Number:
546090-53-3
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
MDL Number:
MFCD03394766
IUPAC Name:
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-cyanoacetamide
InChI:
InChI=1S/C16H17N3OS/c1-16(2,3)12-6-4-11(5-7-12)13-10-21-15(18-13)19-14(20)8-9-17/h4-7,10H,8H2,1-3H3,(H,18,19,20)
InChI Key:
CISSQWUNYCOLRA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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