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125273-86-1 | 4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-2,3,6,7-tetrahydro-
CAS No: 125273-86-1 Catalog No: AG000NEP MDL No:
Product Description
Catalog Number:
AG000NEP
Chemical Name:
4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-2,3,6,7-tetrahydro-
CAS Number:
125273-86-1
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
2-(cyclohexanecarbonyl)-6,7-dihydro-3H-pyrazino[2,1-a]isoquinolin-4-one
InChI:
InChI=1S/C19H22N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,12,15H,1-3,7-8,10-11,13H2
InChI Key:
RAZNCTHEBQFYML-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=O)N2C(=C1)c1ccccc1CC2)C1CCCCC1
UNII:
SWR6DIS4IU
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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