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827310-00-9 | 2(1H)-Isoquinolineacetamide, N-(3,3-diphenylpropyl)-3,4-dihydro-
CAS No: 827310-00-9 Catalog No: AG0058R5 MDL No:
Product Description
Catalog Number:
AG0058R5
Chemical Name:
2(1H)-Isoquinolineacetamide, N-(3,3-diphenylpropyl)-3,4-dihydro-
CAS Number:
827310-00-9
Molecular Formula:
C26H28N2O
Molecular Weight:
384.5133
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)acetamide
InChI:
InChI=1S/C26H28N2O/c29-26(20-28-18-16-21-9-7-8-14-24(21)19-28)27-17-15-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,25H,15-20H2,(H,27,29)
InChI Key:
WRBMEYKOZIOREC-UHFFFAOYSA-N
SMILES:
O=C(CN1CCc2c(C1)cccc2)NCCC(c1ccccc1)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.22g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.523g/mol
Monoisotopic Mass:
384.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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