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1099484-75-9 | 1-{4-[(2S)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]piperidin-1-yl}-2-(piperidin-4-yl)ethan-1-one
CAS No: 1099484-75-9 Catalog No: AG01FKZ8 MDL No:
Product Description
Catalog Number:
AG01FKZ8
Chemical Name:
1-{4-[(2S)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]piperidin-1-yl}-2-(piperidin-4-yl)ethan-1-one
CAS Number:
1099484-75-9
IUPAC Name:
1-[4-[(2S)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
InChI:
InChI=1S/C26H30Br2ClN3O/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)31-15-20)17-5-9-32(10-6-17)23(33)11-16-3-7-30-8-4-16/h12-17,25,30H,1-11H2/t25-/m0/s1
InChI Key:
FVZHXOFDPYQOAY-VWLOTQADSA-N
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
595.042g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
595.804g/mol
Monoisotopic Mass:
593.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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