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20884-90-6 | 1,2,3,4-Tetrahydro-1-[4-(isopropylsulfonyl)phenyl]-6,7-dimethoxyisoquinoline
CAS No: 20884-90-6 Catalog No: AG00BW4R MDL No:
Product Description
Catalog Number:
AG00BW4R
Chemical Name:
1,2,3,4-Tetrahydro-1-[4-(isopropylsulfonyl)phenyl]-6,7-dimethoxyisoquinoline
CAS Number:
20884-90-6
IUPAC Name:
6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C20H25NO4S/c1-13(2)26(22,23)16-7-5-14(6-8-16)20-17-12-19(25-4)18(24-3)11-15(17)9-10-21-20/h5-8,11-13,20-21H,9-10H2,1-4H3
InChI Key:
FMUVIFLFKIUPHK-UHFFFAOYSA-N
NSC Number:
288747
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.15g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.483g/mol
Monoisotopic Mass:
375.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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