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141991-33-5 | Methanesulfonamide, N-[4-[(6-chloro-1,3-dioxolo[4,5-b]acridin-10-yl)amino]-3-methoxyphenyl]-
CAS No: 141991-33-5 Catalog No: AG001HHJ MDL No:
Product Description
Catalog Number:
AG001HHJ
Chemical Name:
Methanesulfonamide, N-[4-[(6-chloro-1,3-dioxolo[4,5-b]acridin-10-yl)amino]-3-methoxyphenyl]-
CAS Number:
141991-33-5
Molecular Formula:
C22H18ClN3O5S
Molecular Weight:
471.9134
IUPAC Name:
N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]-3-methoxyphenyl]methanesulfonamide
InChI:
InChI=1S/C22H18ClN3O5S/c1-29-18-8-12(26-32(2,27)28)6-7-16(18)24-21-13-4-3-5-15(23)22(13)25-17-10-20-19(9-14(17)21)30-11-31-20/h3-10,26H,11H2,1-2H3,(H,24,25)
InChI Key:
LVSVRVFPVMBECP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1c2cc3OCOc3cc2nc2c1cccc2Cl)NS(=O)(=O)C
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.066g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
471.912g/mol
Monoisotopic Mass:
471.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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