ethyl 4-(8-chloro-3-hydroxy-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate


Chemical Name: ethyl 4-(8-chloro-3-hydroxy-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
CAS Number: 183483-15-0
Product Number: AG0027M7(AGN-PC-05IU5M)
Synonyms:
MDL No: MFCD09955550
Molecular Formula: C22H23ClN2O3
Molecular Weight: 398.8826

Identification/Properties


Computed Properties
Molecular Weight:
398.887g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
398.14g/mol
Monoisotopic Mass:
398.14g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
601
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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