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Home > Pyridines > 858118-47-5
858118-47-5 | Benzamide, 3-[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-
CAS No: 858118-47-5 Catalog No: AG004RC2 MDL No:
Product Description
Catalog Number:
AG004RC2
Chemical Name:
Benzamide, 3-[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-
CAS Number:
858118-47-5
Molecular Formula:
C22H17N3O3
Molecular Weight:
371.3887
IUPAC Name:
3-[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
InChI:
InChI=1S/C22H17N3O3/c1-28-17-7-3-5-14(9-17)20(26)19-12-25-22-18(19)10-16(11-24-22)13-4-2-6-15(8-13)21(23)27/h2-12H,1H3,(H2,23,27)(H,24,25)
InChI Key:
IBTQKRPAUBDVOR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)c1c[nH]c2c1cc(cn2)c1cccc(c1)C(=O)N
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.396g/mol
Monoisotopic Mass:
371.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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