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


Chemical Name: ethyl 4-(8-chloro-4-cyano-5,6-dihydrobenzo[4,5]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate
CAS Number: 860010-33-9
Product Number: AG004Q2N(AGN-PC-05J2SJ)
Synonyms:
MDL No:
Molecular Formula: C23H22ClN3O2
Molecular Weight: 407.8927

Identification/Properties


Properties
MP:
90-92ºC
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
407.898g/mol
XLogP3:
4.9
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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