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203444-94-4 | Methanone, [4-[4-(1,3-benzodioxol-5-ylmethyl)phenoxy][1,4'-bipiperidin]-1'-yl](2-chlorophenyl)-
CAS No: 203444-94-4 Catalog No: AG0028VX MDL No:
Product Description
Catalog Number:
AG0028VX
Chemical Name:
Methanone, [4-[4-(1,3-benzodioxol-5-ylmethyl)phenoxy][1,4'-bipiperidin]-1'-yl](2-chlorophenyl)-
CAS Number:
203444-94-4
Molecular Formula:
C31H33ClN2O4
Molecular Weight:
533.0577
IUPAC Name:
[4-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2-chlorophenyl)methanone
InChI:
InChI=1S/C31H33ClN2O4/c32-28-4-2-1-3-27(28)31(35)34-15-11-24(12-16-34)33-17-13-26(14-18-33)38-25-8-5-22(6-9-25)19-23-7-10-29-30(20-23)37-21-36-29/h1-10,20,24,26H,11-19,21H2
InChI Key:
LEQHURQABPRGDF-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)Cc1ccc2c(c1)OCO2
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.213g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
533.065g/mol
Monoisotopic Mass:
532.213g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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