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Home > Pyridines > 858119-01-4
858119-01-4 | Benzamide, 3-[3-(2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS No: 858119-01-4 Catalog No: AG004ODE MDL No:
Product Description
Catalog Number:
AG004ODE
Chemical Name:
Benzamide, 3-[3-(2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS Number:
858119-01-4
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
3-[3-(2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
InChI:
InChI=1S/C22H17N3O2/c1-13-5-2-3-8-16(13)20(26)18-12-25-22-19(18)17(9-10-24-22)14-6-4-7-15(11-14)21(23)27/h2-12H,1H3,(H2,23,27)(H,24,25)
InChI Key:
ZWQWEXGHQLPWOD-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)c1c[nH]c2c1c(ccn2)c1cccc(c1)C(=O)N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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