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Home > Indoles and Oxindole > 89516-98-3
89516-98-3 | 1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-N-octyl-, (S)-
CAS No: 89516-98-3 Catalog No: AG0040VW MDL No:
Product Description
Catalog Number:
AG0040VW
Chemical Name:
1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-N-octyl-, (S)-
CAS Number:
89516-98-3
Molecular Formula:
C20H29N3O
Molecular Weight:
327.4638
IUPAC Name:
N-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C20H29N3O/c1-2-3-4-5-6-9-12-21-20(24)18-13-16-15-10-7-8-11-17(15)23-19(16)14-22-18/h7-8,10-11,18,22-23H,2-6,9,12-14H2,1H3,(H,21,24)
InChI Key:
NYPPICRPUQEZEL-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.231g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.472g/mol
Monoisotopic Mass:
327.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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