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114624-66-7 | Benzamide, 3-[[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]methyl]-
CAS No: 114624-66-7 Catalog No: AG000EVJ MDL No:
Product Description
Catalog Number:
AG000EVJ
Chemical Name:
Benzamide, 3-[[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]methyl]-
CAS Number:
114624-66-7
Molecular Formula:
C25H26ClN3O
Molecular Weight:
419.9464
IUPAC Name:
3-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]benzamide
InChI:
InChI=1S/C25H26ClN3O/c26-23-11-9-21(10-12-23)24(20-6-2-1-3-7-20)29-15-13-28(14-16-29)18-19-5-4-8-22(17-19)25(27)30/h1-12,17,24H,13-16,18H2,(H2,27,30)
InChI Key:
ZJANROLRHGYQPT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C(=O)N
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.176g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.953g/mol
Monoisotopic Mass:
419.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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