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827310-13-4 | Isoquinoline, 2-[[(diphenylmethyl)amino]acetyl]-1,2,3,4-tetrahydro-
CAS No: 827310-13-4 Catalog No: AG005021 MDL No:
Product Description
Catalog Number:
AG005021
Chemical Name:
Isoquinoline, 2-[[(diphenylmethyl)amino]acetyl]-1,2,3,4-tetrahydro-
CAS Number:
827310-13-4
Molecular Formula:
C24H24N2O
Molecular Weight:
356.4602
IUPAC Name:
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C24H24N2O/c27-23(26-16-15-19-9-7-8-14-22(19)18-26)17-25-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,24-25H,15-18H2
InChI Key:
MXPZJSVEERAKPK-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)CNC(c1ccccc1)c1ccccc1
Properties
Complexity:
449
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:
1
Isotope Atom Count:
0
Molecular Weight:
356.469g/mol
Monoisotopic Mass:
356.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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