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Home > Indoles and Oxindole > 951661-85-1
951661-85-1 | (1S,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-N-methyl-1H-pyrido[3,4-b]indole-3-carboxamide
CAS No: 951661-85-1 Catalog No: AG01E61H MDL No:
Product Description
Catalog Number:
AG01E61H
Chemical Name:
(1S,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-N-methyl-1H-pyrido[3,4-b]indole-3-carboxamide
CAS Number:
951661-85-1
IUPAC Name:
(1S,3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C20H19N3O3/c1-21-20(24)15-9-13-12-4-2-3-5-14(12)22-19(13)18(23-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,22-23H,9-10H2,1H3,(H,21,24)/t15-,18+/m1/s1
InChI Key:
QWRJNDUNSMFZTP-QAPCUYQASA-N
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
349.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.39g/mol
Monoisotopic Mass:
349.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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