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85868-60-6 | N-[4-[3-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]PROPOXY]PHENYL]METHANESULFONAMIDE
CAS No: 85868-60-6 Catalog No: AG008GAA MDL No:
Product Description
Catalog Number:
AG008GAA
Chemical Name:
N-[4-[3-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]PROPOXY]PHENYL]METHANESULFONAMIDE
CAS Number:
85868-60-6
Molecular Formula:
C21H29N3O4S
Molecular Weight:
419.5377
IUPAC Name:
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
InChI:
InChI=1S/C21H29N3O4S/c1-27-20-10-6-19(7-11-20)24-15-13-23(14-16-24)12-3-17-28-21-8-4-18(5-9-21)22-29(2,25)26/h4-11,22H,3,12-17H2,1-2H3
InChI Key:
IAIVBMQVKMKUJA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)CCCOc1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.188g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.54g/mol
Monoisotopic Mass:
419.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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