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124069-07-4 | 4-Piperidinone, 2,6-bis(4-bromophenyl)-3-phenyl-
CAS No: 124069-07-4 Catalog No: AG000LIW MDL No:
Product Description
Catalog Number:
AG000LIW
Chemical Name:
4-Piperidinone, 2,6-bis(4-bromophenyl)-3-phenyl-
CAS Number:
124069-07-4
Molecular Formula:
C23H19Br2NO
Molecular Weight:
485.2111
IUPAC Name:
2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-amine
InChI:
InChI=1S/C23H22Br2N2/c24-18-10-6-15(7-11-18)21-14-20(26)22(16-4-2-1-3-5-16)23(27-21)17-8-12-19(25)13-9-17/h1-13,20-23,27H,14,26H2
InChI Key:
MYFCYSSEQWDMOP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1CC(=O)C(C(N1)c1ccc(cc1)Br)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.013g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
486.251g/mol
Monoisotopic Mass:
484.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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