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23655-67-6 | Benzamide, N-[4-(4-pyridinylamino)phenyl]-4-(4-quinolinylamino)-
CAS No: 23655-67-6 Catalog No: AG002O1U MDL No:
Product Description
Catalog Number:
AG002O1U
Chemical Name:
Benzamide, N-[4-(4-pyridinylamino)phenyl]-4-(4-quinolinylamino)-
CAS Number:
23655-67-6
Molecular Formula:
C27H21N5O
Molecular Weight:
431.4885
IUPAC Name:
N-[4-(pyridin-4-ylamino)phenyl]-4-(quinolin-4-ylamino)benzamide
InChI:
InChI=1S/C27H21N5O/c33-27(32-22-11-9-20(10-12-22)30-23-13-16-28-17-14-23)19-5-7-21(8-6-19)31-26-15-18-29-25-4-2-1-3-24(25)26/h1-18H,(H,28,30)(H,29,31)(H,32,33)
InChI Key:
BTWGHACHPBOCOB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Nc1ccnc2c1cccc2)Nc1ccc(cc1)Nc1ccncc1
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.175g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
431.499g/mol
Monoisotopic Mass:
431.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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