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144319-66-4 | Benzamide, N-[2,3-dihydro-1,3-dioxo-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1H-isoindol-5-yl]-, hydrochloride (1:1)
CAS No: 144319-66-4 Catalog No: AG001JBO MDL No:
Product Description
Catalog Number:
AG001JBO
Chemical Name:
Benzamide, N-[2,3-dihydro-1,3-dioxo-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1H-isoindol-5-yl]-, hydrochloride (1:1)
CAS Number:
144319-66-4
Molecular Formula:
C29H30ClN3O3
Molecular Weight:
504.0198
IUPAC Name:
N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]benzamide
InChI:
InChI=1S/C29H29N3O3/c33-27(23-9-5-2-6-10-23)30-24-11-12-25-26(19-24)29(35)32(28(25)34)18-15-21-13-16-31(17-14-21)20-22-7-3-1-4-8-22/h1-12,19,21H,13-18,20H2,(H,30,33)
InChI Key:
JEXADSKXZBGTNK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc2c(c1)C(=O)N(C2=O)CCC1CCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.221g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.569g/mol
Monoisotopic Mass:
467.221g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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