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821767-20-8 | Methanone, 1H-indol-3-yl[2-[(4-pyridinylmethyl)amino]phenyl]-
CAS No: 821767-20-8 Catalog No: AG0050Z9 MDL No:
Product Description
Catalog Number:
AG0050Z9
Chemical Name:
Methanone, 1H-indol-3-yl[2-[(4-pyridinylmethyl)amino]phenyl]-
CAS Number:
821767-20-8
Molecular Formula:
C21H17N3O
Molecular Weight:
327.3792
IUPAC Name:
1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
InChI:
InChI=1S/C21H17N3O/c25-21(18-14-24-19-7-3-1-5-16(18)19)17-6-2-4-8-20(17)23-13-15-9-11-22-12-10-15/h1-12,14,23-24H,13H2
InChI Key:
KVPGEPFIZBIQJW-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)c1ccccc1NCc1ccncc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.387g/mol
Monoisotopic Mass:
327.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of heteroaryl-ketone derivatives as a novel class of VEGFR-2 inhibitors. | Bioorganic & medicinal chemistry letters 20080801 |
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