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858118-80-6 | Benzamide, 3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS No: 858118-80-6 Catalog No: AG004RBZ MDL No:
Product Description
Catalog Number:
AG004RBZ
Chemical Name:
Benzamide, 3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS Number:
858118-80-6
Molecular Formula:
C21H14ClN3O2
Molecular Weight:
375.8078
IUPAC Name:
3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
InChI:
InChI=1S/C21H14ClN3O2/c22-15-6-4-12(5-7-15)19(26)17-11-25-21-18(17)16(8-9-24-21)13-2-1-3-14(10-13)20(23)27/h1-11H,(H2,23,27)(H,24,25)
InChI Key:
OWNCGWILMDDHJL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1c[nH]c2c1c(ccn2)c1cccc(c1)C(=O)N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.077g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.812g/mol
Monoisotopic Mass:
375.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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