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Home > Indoles and Oxindole > 941987-60-6
941987-60-6 | N-(4-ethylphenyl)-N'-1H-indol-3-yl-urea
CAS No: 941987-60-6 Catalog No: AG01EQCN MDL No:
Product Description
Catalog Number:
AG01EQCN
Chemical Name:
N-(4-ethylphenyl)-N'-1H-indol-3-yl-urea
CAS Number:
941987-60-6
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
IUPAC Name:
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
InChI:
InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChI Key:
UJZDIKVQFMCLBE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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