3-Isoquinolinecarboxamide,2-[(2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-


Chemical Name: 3-Isoquinolinecarboxamide,2-[(2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
CAS Number: 159878-05-4
Product Number: AG001RHK(AGN-PC-0Q7S7E)
Synonyms:
MDL No:
Molecular Formula: C24H39N3O2S
Molecular Weight: 433.6504

Identification/Properties


Computed Properties
Molecular Weight:
433.655g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
433.276g/mol
Monoisotopic Mass:
433.276g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
547
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback