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89242-11-5 | Morpholine, 4-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS No: 89242-11-5 Catalog No: AG0042MC MDL No:
Product Description
Catalog Number:
AG0042MC
Chemical Name:
Morpholine, 4-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS Number:
89242-11-5
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
IUPAC Name:
morpholin-4-yl-(1-phenylisoquinolin-3-yl)methanone
InChI:
InChI=1S/C20H18N2O2/c23-20(22-10-12-24-13-11-22)18-14-16-8-4-5-9-17(16)19(21-18)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChI Key:
HCGNWNKBRCGSMZ-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2c(n1)c1ccccc1)N1CCOCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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