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827309-99-9 | 2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-phenyl-N-(phenylmethyl)-
CAS No: 827309-99-9 Catalog No: AG004V5F MDL No:
Product Description
Catalog Number:
AG004V5F
Chemical Name:
2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-phenyl-N-(phenylmethyl)-
CAS Number:
827309-99-9
Molecular Formula:
C24H24N2O
Molecular Weight:
356.4602
IUPAC Name:
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
InChI:
InChI=1S/C24H24N2O/c27-24(19-25-16-15-21-11-7-8-12-22(21)18-25)26(23-13-5-2-6-14-23)17-20-9-3-1-4-10-20/h1-14H,15-19H2
InChI Key:
CKBJNHQOPRQBSF-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1)Cc1ccccc1)CN1CCc2c(C1)cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.469g/mol
Monoisotopic Mass:
356.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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