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Home > Pyridines > 861209-31-6
861209-31-6 | 3-(cyclopentylsulfanyl)-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS No: 861209-31-6 Catalog No: AG00IOF1 MDL No:MFCD03305563
Product Description
Catalog Number:
AG00IOF1
Chemical Name:
3-(cyclopentylsulfanyl)-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS Number:
861209-31-6
Molecular Formula:
C20H20N2S
Molecular Weight:
320.4512
MDL Number:
MFCD03305563
IUPAC Name:
3-cyclopentylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
InChI:
InChI=1S/C20H20N2S/c21-13-18-16-11-6-12-17(16)19(14-7-2-1-3-8-14)22-20(18)23-15-9-4-5-10-15/h1-3,7-8,15H,4-6,9-12H2
InChI Key:
RVFLSLQCIORTQS-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC2CCCC2)nc(c2c1CCC2)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.454g/mol
Monoisotopic Mass:
320.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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