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1673575-90-0 | tert-butyl 3,3-difluoro-4-((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-phenylpropylcarbamoyl)piperidine-1-carboxylate
CAS No: 1673575-90-0 Catalog No: AG01FP5L MDL No:
Product Description
Catalog Number:
AG01FP5L
Chemical Name:
tert-butyl 3,3-difluoro-4-((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-phenylpropylcarbamoyl)piperidine-1-carboxylate
CAS Number:
1673575-90-0
IUPAC Name:
tert-butyl 3,3-difluoro-4-[[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]carbamoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C33H48F2N6O3/c1-21(2)29-38-37-22(3)41(29)26-18-24-12-13-25(19-26)40(24)17-15-28(23-10-8-7-9-11-23)36-30(42)27-14-16-39(20-33(27,34)35)31(43)44-32(4,5)6/h7-11,21,24-28H,12-20H2,1-6H3,(H,36,42)
InChI Key:
BTFIRMJZNCFPJU-UHFFFAOYSA-N
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.376g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
614.783g/mol
Monoisotopic Mass:
614.376g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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