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Home > Pyridines > 439107-25-2
439107-25-2 | 1-(2-methylphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS No: 439107-25-2 Catalog No: AG00IY20 MDL No:MFCD03012129
Product Description
Catalog Number:
AG00IY20
Chemical Name:
1-(2-methylphenyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS Number:
439107-25-2
Molecular Formula:
C24H22N2S
Molecular Weight:
370.5099
MDL Number:
MFCD03012129
IUPAC Name:
1-(2-methylphenyl)-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
InChI:
InChI=1S/C24H22N2S/c1-16-10-12-18(13-11-16)15-27-24-22(14-25)20-8-5-9-21(20)23(26-24)19-7-4-3-6-17(19)2/h3-4,6-7,10-13H,5,8-9,15H2,1-2H3
InChI Key:
CMIRDDXEQUXPAU-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCc2ccc(cc2)C)nc(c2c1CCC2)c1ccccc1C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.15g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.514g/mol
Monoisotopic Mass:
370.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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