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125153-61-9 | Benzenesulfonamide, 5-[1-cyano-4-[[2-(5-fluoro-2-methoxyphenoxy)ethyl]amino]-1-(1-methylethyl)butyl]-2-methoxy-
CAS No: 125153-61-9 Catalog No: AG000N9A MDL No:
Product Description
Catalog Number:
AG000N9A
Chemical Name:
Benzenesulfonamide, 5-[1-cyano-4-[[2-(5-fluoro-2-methoxyphenoxy)ethyl]amino]-1-(1-methylethyl)butyl]-2-methoxy-
CAS Number:
125153-61-9
Molecular Formula:
C24H32FN3O5S
Molecular Weight:
493.5914
IUPAC Name:
5-[3-cyano-6-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]-2-methylhexan-3-yl]-2-methoxybenzenesulfonamide
InChI:
InChI=1S/C24H32FN3O5S/c1-17(2)24(16-26,18-6-8-21(32-4)23(14-18)34(27,29)30)10-5-11-28-12-13-33-22-15-19(25)7-9-20(22)31-3/h6-9,14-15,17,28H,5,10-13H2,1-4H3,(H2,27,29,30)
InChI Key:
OAXQHJIZJYKTTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCNCCCC(c1ccc(c(c1)S(=O)(=O)N)OC)(C(C)C)C#N)F
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.205g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.594g/mol
Monoisotopic Mass:
493.205g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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