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832694-58-3 | Urea, N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N'-phenyl-
CAS No: 832694-58-3 Catalog No: AG004TUU MDL No:
Product Description
Catalog Number:
AG004TUU
Chemical Name:
Urea, N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N'-phenyl-
CAS Number:
832694-58-3
Molecular Formula:
C20H16N4OS
Molecular Weight:
360.4322
IUPAC Name:
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea
InChI:
InChI=1S/C20H16N4OS/c21-19-18-16(12-26-17(18)10-11-22-19)13-6-8-15(9-7-13)24-20(25)23-14-4-2-1-3-5-14/h1-12H,(H2,21,22)(H2,23,24,25)
InChI Key:
YQQLLLJHDXFGPW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1ccc(cc1)c1csc2c1c(N)ncc2
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.435g/mol
Monoisotopic Mass:
360.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Thienopyridine urea inhibitors of KDR kinase. | Bioorganic & medicinal chemistry letters 20070301 |
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