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Home > Sulfanilamide > 83524-63-4
83524-63-4 | 10-(1-AZABICYCLO(2.2.2)OCT-3-YL)-N-METHYL-10H-PHENOTHIAZINE-2-SULFONAMIDE
CAS No: 83524-63-4 Catalog No: AG004V23 MDL No:
Product Description
Catalog Number:
AG004V23
Chemical Name:
10-(1-AZABICYCLO(2.2.2)OCT-3-YL)-N-METHYL-10H-PHENOTHIAZINE-2-SULFONAMIDE
CAS Number:
83524-63-4
Molecular Formula:
C20H23N3O2S2
Molecular Weight:
401.5455
IUPAC Name:
10-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylphenothiazine-2-sulfonamide
InChI:
InChI=1S/C20H23N3O2S2/c1-21-27(24,25)15-6-7-20-17(12-15)23(16-4-2-3-5-19(16)26-20)18-13-22-10-8-14(18)9-11-22/h2-7,12,14,18,21H,8-11,13H2,1H3
InChI Key:
MXTCCKAJTFAXTC-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc2c(c1)N(C1CN3CCC1CC3)c1c(S2)cccc1
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.543g/mol
Monoisotopic Mass:
401.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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