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1431540-99-6 |
CAS No: 1431540-99-6 Catalog No: AG01FGAI MDL No:
Product Description
Catalog Number:
AG01FGAI
CAS Number:
1431540-99-6
Molecular Formula:
C28H24N6O3
Molecular Weight:
492.5286
IUPAC Name:
5-[4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
InChI Key:
QYTXJLQBSYAMGR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1OC)c1ccc2c(c1)c(ncn2)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)C
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.191g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.539g/mol
Monoisotopic Mass:
492.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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