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313687-64-8 | (2E)-3-(3,4-dimethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS No: 313687-64-8 Catalog No: AG00IVTN MDL No:MFCD01245032
Product Description
Catalog Number:
AG00IVTN
Chemical Name:
(2E)-3-(3,4-dimethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS Number:
313687-64-8
Molecular Formula:
C20H16N2O2S
Molecular Weight:
348.4182
MDL Number:
MFCD01245032
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C20H16N2O2S/c1-23-18-9-8-14(11-19(18)24-2)10-16(12-21)20-22-17(13-25-20)15-6-4-3-5-7-15/h3-11,13H,1-2H3
InChI Key:
KAENREIPFXFJAW-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(c(c1)OC)OC)/c1scc(n1)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.42g/mol
Monoisotopic Mass:
348.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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