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Home > Indoles and Oxindole > 1049743-58-9
1049743-58-9 | N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamidedihydrochloride
CAS No: 1049743-58-9 Catalog No: AG01ENO7 MDL No:
Product Description
Catalog Number:
AG01ENO7
Chemical Name:
N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamidedihydrochloride
CAS Number:
1049743-58-9
Molecular Formula:
C17H13Cl3N4O
Molecular Weight:
395.6703
IUPAC Name:
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide;dihydrochloride
InChI:
InChI=1S/C17H11ClN4O.2ClH/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10;;/h1-9,21H,(H,22,23);2*1H
InChI Key:
QTDCBADLGJZBHP-UHFFFAOYSA-N
SMILES:
Clc1cc(NC(=O)c2cccnc2)c2c(c1)c1ccncc1[nH]2.Cl.Cl
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.015g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
395.668g/mol
Monoisotopic Mass:
394.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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