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861211-31-6 | (E)-N'-(5-{[1,1'-biphenyl]-4-carbonyl}-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
CAS No: 861211-31-6 Catalog No: AG00IP7W MDL No:MFCD04124995
Product Description
Catalog Number:
AG00IP7W
Chemical Name:
(E)-N'-(5-{[1,1'-biphenyl]-4-carbonyl}-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
CAS Number:
861211-31-6
Molecular Formula:
C19H17N3OS
Molecular Weight:
335.4228
MDL Number:
MFCD04124995
IUPAC Name:
N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
InChI:
InChI=1S/C19H17N3OS/c1-22(2)13-21-19-20-12-17(24-19)18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChI Key:
WBYAGANGSPTMEJ-UHFFFAOYSA-N
SMILES:
CN(/C=N/c1ncc(s1)C(=O)c1ccc(cc1)c1ccccc1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.425g/mol
Monoisotopic Mass:
335.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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