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827310-35-0 | 2(1H)-Isoquinolineacetamide, N-(2,2-diphenylethyl)-3,4-dihydro-
CAS No: 827310-35-0 Catalog No: AG008JBE MDL No:
Product Description
Catalog Number:
AG008JBE
Chemical Name:
2(1H)-Isoquinolineacetamide, N-(2,2-diphenylethyl)-3,4-dihydro-
CAS Number:
827310-35-0
Molecular Formula:
C25H26N2O
Molecular Weight:
370.4867
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-diphenylethyl)acetamide
InChI:
InChI=1S/C25H26N2O/c28-25(19-27-16-15-20-9-7-8-14-23(20)18-27)26-17-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,24H,15-19H2,(H,26,28)
InChI Key:
DCNRKILGCFMRNC-UHFFFAOYSA-N
SMILES:
O=C(CN1CCc2c(C1)cccc2)NCC(c1ccccc1)c1ccccc1
Properties
Complexity:
463
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:
1
Isotope Atom Count:
0
Molecular Weight:
370.496g/mol
Monoisotopic Mass:
370.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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