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89474-25-9 | 2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-2-naphthalenyl-
CAS No: 89474-25-9 Catalog No: AG0043DD MDL No:
Product Description
Catalog Number:
AG0043DD
Chemical Name:
2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-2-naphthalenyl-
CAS Number:
89474-25-9
Molecular Formula:
C21H20N2O
Molecular Weight:
316.3963
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-naphthalen-2-ylacetamide
InChI:
InChI=1S/C21H20N2O/c24-21(15-23-12-11-17-6-2-4-8-19(17)14-23)22-20-10-9-16-5-1-3-7-18(16)13-20/h1-10,13H,11-12,14-15H2,(H,22,24)
InChI Key:
LAFHIENWUHHVQZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)cccc2)CN1CCc2c(C1)cccc2
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.404g/mol
Monoisotopic Mass:
316.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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