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867163-52-8 | N-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)Methyl)-3-MethylenecyclobutanecarboxaMide
CAS No: 867163-52-8 Catalog No: AG00GU4J MDL No:
Product Description
Catalog Number:
AG00GU4J
Chemical Name:
N-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)Methyl)-3-MethylenecyclobutanecarboxaMide
CAS Number:
867163-52-8
Molecular Formula:
C26H21ClN4O
Molecular Weight:
440.9241
IUPAC Name:
N-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)methyl]-3-methylidenecyclobutane-1-carboxamide
InChI:
InChI=1S/C26H21ClN4O/c1-16-13-20(14-16)26(32)31-23(24-25(27)29-12-11-28-24)19-8-7-18-9-10-21(30-22(18)15-19)17-5-3-2-4-6-17/h2-12,15,20,23H,1,13-14H2,(H,31,32)
InChI Key:
FINPDKQWUZMKLI-UHFFFAOYSA-N
SMILES:
C=C1CC(C1)C(=O)NC(c1nccnc1Cl)c1ccc2c(c1)nc(cc2)c1ccccc1
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.14g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.931g/mol
Monoisotopic Mass:
440.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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