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20884-95-1 | 5,6,7,8-Tetrahydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
CAS No: 20884-95-1 Catalog No: AG00BW4S MDL No:
Product Description
Catalog Number:
AG00BW4S
Chemical Name:
5,6,7,8-Tetrahydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
CAS Number:
20884-95-1
IUPAC Name:
5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C19H21NO4S/c1-12(2)25(21,22)15-5-3-13(4-6-15)19-16-10-18-17(23-11-24-18)9-14(16)7-8-20-19/h3-6,9-10,12,19-20H,7-8,11H2,1-2H3
InChI Key:
SRKFWJCAFAQJMD-UHFFFAOYSA-N
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.44g/mol
Monoisotopic Mass:
359.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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