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1803598-98-2 | 7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-one
CAS No: 1803598-98-2 Catalog No: AG01BE6A MDL No:MFCD28063966
Product Description
Catalog Number:
AG01BE6A
Chemical Name:
7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-one
CAS Number:
1803598-98-2
Molecular Formula:
C13H16N2O4S
Molecular Weight:
296.3421
MDL Number:
MFCD28063966
IUPAC Name:
7-morpholin-4-ylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H16N2O4S/c16-13-12-9-11(2-1-10(12)3-4-14-13)20(17,18)15-5-7-19-8-6-15/h1-2,9H,3-8H2,(H,14,16)
InChI Key:
PHOHCGPRLUOBDK-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)S(=O)(=O)N1CCOCC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.341g/mol
Monoisotopic Mass:
296.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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