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338414-40-7 | (3E)-3-{[(4-methylphenyl)methoxy]imino}-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
CAS No: 338414-40-7 Catalog No: AG00IOOG MDL No:MFCD00974291
Product Description
Catalog Number:
AG00IOOG
Chemical Name:
(3E)-3-{[(4-methylphenyl)methoxy]imino}-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
CAS Number:
338414-40-7
Molecular Formula:
C20H18N2O2S
Molecular Weight:
350.4341
MDL Number:
MFCD00974291
IUPAC Name:
(3E)-3-[(4-methylphenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
InChI:
InChI=1S/C20H18N2O2S/c1-15-7-9-16(10-8-15)14-24-22-12-11-18(23)19-13-21-20(25-19)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3/b22-12+
InChI Key:
XEWMASWHYPCTJH-WSDLNYQXSA-N
SMILES:
Cc1ccc(cc1)CO/N=C/CC(=O)c1cnc(s1)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
350.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.436g/mol
Monoisotopic Mass:
350.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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