BMS-1166


Chemical Name: BMS-1166
CAS Number: 1818314-88-3
Product Number: AG01FNPO(AGN-PC-3H5NJ2)
Synonyms:
MDL No:
Molecular Formula: C36H33ClN2O7
Molecular Weight: 641.1094

Identification/Properties


Computed Properties
Molecular Weight:
641.117g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
10
Exact Mass:
640.198g/mol
Monoisotopic Mass:
640.198g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
46
Formal Charge:
0
Complexity:
1060
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

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NMR Spectrum


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