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1673575-95-5 | 3,3-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)piperidine-4-carboxamide
CAS No: 1673575-95-5 Catalog No: AG01FP5N MDL No:
Product Description
Catalog Number:
AG01FP5N
Chemical Name:
3,3-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)piperidine-4-carboxamide
CAS Number:
1673575-95-5
IUPAC Name:
3,3-difluoro-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-4-carboxamide
InChI:
InChI=1S/C28H40F2N6O/c1-18(2)26-34-33-19(3)36(26)23-15-21-9-10-22(16-23)35(21)14-12-25(20-7-5-4-6-8-20)32-27(37)24-11-13-31-17-28(24,29)30/h4-8,18,21-25,31H,9-17H2,1-3H3,(H,32,37)
InChI Key:
ZKSOICWUBNQREY-UHFFFAOYSA-N
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.323g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
514.666g/mol
Monoisotopic Mass:
514.323g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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