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Home > Fluorides > 505056-11-1
505056-11-1 | 1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propan-1-one
CAS No: 505056-11-1 Catalog No: AG01EW8D MDL No:
Product Description
Catalog Number:
AG01EW8D
Chemical Name:
1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propan-1-one
CAS Number:
505056-11-1
Molecular Formula:
C23H20F3N3OS
Molecular Weight:
443.4846
IUPAC Name:
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
InChI:
InChI=1S/C23H20F3N3OS/c1-14-12-17-10-6-7-11-19(17)29(14)21(30)15(2)31-22-27-18(16-8-4-3-5-9-16)13-20(28-22)23(24,25)26/h3-11,13-15H,12H2,1-2H3
InChI Key:
LKOROUZPJCWFPJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1C(C)Cc2c1cccc2)Sc1nc(cc(n1)C(F)(F)F)c1ccccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.128g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.488g/mol
Monoisotopic Mass:
443.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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