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332376-19-9 | 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4-phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CAS No: 332376-19-9 Catalog No: AG01EV90 MDL No:
Product Description
Catalog Number:
AG01EV90
Chemical Name:
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4-phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CAS Number:
332376-19-9
Molecular Formula:
C24H21N5OS
Molecular Weight:
427.5214
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
InChI:
InChI=1S/C24H21N5OS/c30-22(28-16-6-8-18-7-4-5-11-21(18)28)17-31-24-27-26-23(19-12-14-25-15-13-19)29(24)20-9-2-1-3-10-20/h1-5,7,9-15H,6,8,16-17H2
InChI Key:
MLQVGZIZTKGMDU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccncc1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.147g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.526g/mol
Monoisotopic Mass:
427.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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