(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one


Chemical Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Number: 81353-09-5
Product Number: AG008MIK(AGN-PC-0JPM1G)
Synonyms:
MDL No:
Molecular Formula: C19H22N2O3S
Molecular Weight: 358.4546

Identification/Properties


Computed Properties
Molecular Weight:
358.456g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
358.135g/mol
Monoisotopic Mass:
358.135g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
442
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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