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1461715-67-2 | tert-butyl N-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]carbamate
CAS No: 1461715-67-2 Catalog No: AG01A6NM MDL No:MFCD25970365
Product Description
Catalog Number:
AG01A6NM
Chemical Name:
tert-butyl N-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]carbamate
CAS Number:
1461715-67-2
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
MDL Number:
MFCD25970365
IUPAC Name:
tert-butyl N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]carbamate
InChI:
InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-9-10-4-5-11-6-7-16-13(18)12(11)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)(H,17,19)
InChI Key:
QPABEEHUBAPXEL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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