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313687-66-0 | (2E)-3-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CAS No: 313687-66-0 Catalog No: AG00IR10 MDL No:MFCD00807584
Product Description
Catalog Number:
AG00IR10
Chemical Name:
(2E)-3-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CAS Number:
313687-66-0
Molecular Formula:
C21H18N2O3S
Molecular Weight:
378.4442
MDL Number:
MFCD00807584
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
InChI:
InChI=1S/C21H18N2O3S/c1-24-17-7-5-15(6-8-17)18-13-27-21(23-18)16(12-22)10-14-4-9-19(25-2)20(11-14)26-3/h4-11,13H,1-3H3
InChI Key:
XUUPJPJDKLEQRZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)/C(=C/c1ccc(c(c1)OC)OC)/C#N
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.446g/mol
Monoisotopic Mass:
378.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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