1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methylester, (1R,3R)-


Chemical Name: 1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methylester, (1R,3R)-
CAS Number: 171489-59-1
Product Number: AG0077PD(AGN-PC-0Q9W85)
Synonyms:
MDL No:
Molecular Formula: C22H18ClN2O5-
Molecular Weight: 425.8417

Identification/Properties


Computed Properties
Molecular Weight:
426.853g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
426.098g/mol
Monoisotopic Mass:
426.098g/mol
Topological Polar Surface Area:
80.9A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
678
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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