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67793-71-9 | Draquinolol
CAS No: 67793-71-9 Catalog No: AG00FFGQ MDL No:
Product Description
Catalog Number:
AG00FFGQ
Chemical Name:
Draquinolol
CAS Number:
67793-71-9
IUPAC Name:
3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one
InChI:
InChI=1S/C24H30N2O4/c1-24(2,3)25-14-18(27)15-30-19-9-6-16(7-10-19)22-12-17-8-11-20(29-5)13-21(17)23(28)26(22)4/h6-13,18,25,27H,14-15H2,1-5H3
InChI Key:
MZELTXWHFDTAOO-UHFFFAOYSA-N
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.514g/mol
Monoisotopic Mass:
410.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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