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Home > Pyridines > 341967-44-0
341967-44-0 | 2-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-6-phenylpyridine-3-carbonitrile
CAS No: 341967-44-0 Catalog No: AG00IN2P MDL No:MFCD01315273
Product Description
Catalog Number:
AG00IN2P
Chemical Name:
2-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-6-phenylpyridine-3-carbonitrile
CAS Number:
341967-44-0
Molecular Formula:
C21H18N2OS
Molecular Weight:
346.4454
MDL Number:
MFCD01315273
IUPAC Name:
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C21H18N2OS/c1-15-12-20(17-6-4-3-5-7-17)23-21(19(15)13-22)25-14-16-8-10-18(24-2)11-9-16/h3-12H,14H2,1-2H3
InChI Key:
UGTCPTYLKJPRPQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCc2ccc(cc2)OC)nc(cc1C)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.448g/mol
Monoisotopic Mass:
346.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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