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Home > Fluorides > 872604-30-3
872604-30-3 | Urea, [7-(trifluoromethyl)-9H-carbazol-3-yl]-
CAS No: 872604-30-3 Catalog No: AG004PYM MDL No:
Product Description
Catalog Number:
AG004PYM
Chemical Name:
Urea, [7-(trifluoromethyl)-9H-carbazol-3-yl]-
CAS Number:
872604-30-3
Molecular Formula:
C14H10F3N3O
Molecular Weight:
293.2439
IUPAC Name:
[7-(trifluoromethyl)-9H-carbazol-3-yl]urea
InChI:
InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-6-8(19-13(18)21)2-4-11(10)20-12(9)5-7/h1-6,20H,(H3,18,19,21)
InChI Key:
HBPRRKVUKLLMDA-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc2c(c1)c1ccc(cc1[nH]2)C(F)(F)F
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.249g/mol
Monoisotopic Mass:
293.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of carboline and carbazole derivatives as a novel class of ATP-competitive kinesin spindle protein inhibitors. | Journal of medicinal chemistry 20110714 |
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