1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-


Chemical Name: 1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-
CAS Number: 87447-47-0
Product Number: AG00GY1H(AGN-PC-0VDRLV)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
343.397g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
343.088g/mol
Monoisotopic Mass:
343.088g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
464
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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


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