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1673575-97-7 | 5,5-difluoro-N-((S)-3-((1S,3R,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)-1-methylpiperidine-3-carboxamide
CAS No: 1673575-97-7 Catalog No: AG01FP5M MDL No:
Product Description
Catalog Number:
AG01FP5M
Chemical Name:
5,5-difluoro-N-((S)-3-((1S,3R,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)-1-methylpiperidine-3-carboxamide
CAS Number:
1673575-97-7
IUPAC Name:
5,5-difluoro-1-methyl-N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]piperidine-3-carboxamide
InChI:
InChI=1S/C29H42F2N6O/c1-19(2)27-34-33-20(3)37(27)25-14-23-10-11-24(15-25)36(23)13-12-26(21-8-6-5-7-9-21)32-28(38)22-16-29(30,31)18-35(4)17-22/h5-9,19,22-26H,10-18H2,1-4H3,(H,32,38)
InChI Key:
LKYOMIUZCQTPQT-UHFFFAOYSA-N
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.339g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
528.693g/mol
Monoisotopic Mass:
528.339g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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