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


Chemical Name: ethyl 4-(8-chloro-2-cyano-5,6-dihydrobenzo[1,2]cyclohepta[2,4-c]pyridin-11-ylidene)piperidine-1-carboxylate
CAS Number: 860010-31-7
Product Number: AG008FVB(AGN-PC-05J2SI)
Synonyms:
MDL No:
Molecular Formula: C23H22ClN3O2
Molecular Weight: 407.8927

Identification/Properties


Computed Properties
Molecular Weight:
407.898g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
407.14g/mol
Monoisotopic Mass:
407.14g/mol
Topological Polar Surface Area:
66.2A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
690
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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