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827309-98-8

827309-98-8 | 2(1H)-Isoquinolineacetamide, 3,4-dihydro-N,N-bis(phenylmethyl)-

CAS No: 827309-98-8 Catalog No: AG004V5G MDL No:

Product Description

Catalog Number:
AG004V5G
Chemical Name:
2(1H)-Isoquinolineacetamide, 3,4-dihydro-N,N-bis(phenylmethyl)-
CAS Number:
827309-98-8
Molecular Formula:
C25H26N2O
Molecular Weight:
370.4867
IUPAC Name:
N,N-dibenzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
InChI:
InChI=1S/C25H26N2O/c28-25(20-26-16-15-23-13-7-8-14-24(23)19-26)27(17-21-9-3-1-4-10-21)18-22-11-5-2-6-12-22/h1-14H,15-20H2
InChI Key:
VWFFDQNEHSUZFR-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1ccccc1)Cc1ccccc1)CN1CCc2c(C1)cccc2

Properties

Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.205g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.496g/mol
Monoisotopic Mass:
370.205g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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