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


Chemical Name: ethyl 4-[8-chloro-2-(hydroxymethyl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-c]pyridin-11-ylidene]piperidine-1-carboxylate
CAS Number: 609806-39-5
Product Number: AG00EF7Y(AGN-PC-05J3FP)
Synonyms:
MDL No:
Molecular Formula: C23H25ClN2O3
Molecular Weight: 412.9092

Identification/Properties


Properties
MP:
>75°C (dec)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
412.914g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
412.155g/mol
Monoisotopic Mass:
412.155g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
615
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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