Home Sulfos Propanamide, 2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1)

Propanamide, 2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1)

CAS No.:
202825-45-4
Catalog Number:
AG0028G2
Molecular Formula:
C18H23FN2O5S
Molecular Weight:
398.4490
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Product Description
Catalog Number:
AG0028G2
Chemical Name:
Propanamide, 2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1)
CAS Number:
202825-45-4
Molecular Formula:
C18H23FN2O5S
Molecular Weight:
398.4490
MDL Number:
MFCD19690932
IUPAC Name:
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
InChI:
InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1
InChI Key:
CHQVNINIGBRKGZ-YDALLXLXSA-N
SMILES:
CS(=O)(=O)O.NC(=O)[C@@H](NCc1ccc(cc1)OCc1ccccc1F)C
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
398.131g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
398.449g/mol
Monoisotopic Mass:
398.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties