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827303-21-9 | Acridine, 2,7-dimethoxy-9-[(phenylmethyl)sulfonyl]-
CAS No: 827303-21-9 Catalog No: AG0050R1 MDL No:
Product Description
Catalog Number:
AG0050R1
Chemical Name:
Acridine, 2,7-dimethoxy-9-[(phenylmethyl)sulfonyl]-
CAS Number:
827303-21-9
Molecular Formula:
C22H19NO4S
Molecular Weight:
393.4556
IUPAC Name:
9-benzylsulfonyl-2,7-dimethoxyacridine
InChI:
InChI=1S/C22H19NO4S/c1-26-16-8-10-20-18(12-16)22(19-13-17(27-2)9-11-21(19)23-20)28(24,25)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3
InChI Key:
GTJVRBWVKKBKJB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c1c(n2)ccc(c1)OC)S(=O)(=O)Cc1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.103g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.457g/mol
Monoisotopic Mass:
393.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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