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478065-22-4

478065-22-4 | (2Z)-2-(3,4-dimethoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile

CAS No: 478065-22-4 Catalog No: AG00IQA5 MDL No:MFCD02571160

Product Description

Catalog Number:
AG00IQA5
Chemical Name:
(2Z)-2-(3,4-dimethoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile
CAS Number:
478065-22-4
Molecular Formula:
C21H18N2O2S
Molecular Weight:
362.4448
MDL Number:
MFCD02571160
IUPAC Name:
2-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylquinolin-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C21H18N2O2S/c1-24-19-9-8-14(12-20(19)25-2)17(13-22)11-16-10-15-6-4-5-7-18(15)23-21(16)26-3/h4-12H,1-3H3
InChI Key:
TZAGRQGOAIECBZ-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1cc2ccccc2nc1SC)/c1ccc(c(c1)OC)OC

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.109g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.447g/mol
Monoisotopic Mass:
362.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.8  

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