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71070-70-7 | 1-cyclohexyl-3-(2-methyl-4-quinolyl)urea
CAS No: 71070-70-7 Catalog No: AG00FMQB MDL No:MFCD00265177
Product Description
Catalog Number:
AG00FMQB
Chemical Name:
1-cyclohexyl-3-(2-methyl-4-quinolyl)urea
CAS Number:
71070-70-7
Molecular Formula:
C17H21N3O
Molecular Weight:
283.3681
MDL Number:
MFCD00265177
IUPAC Name:
1-cyclohexyl-3-(2-methylquinolin-4-yl)urea
InChI:
InChI=1S/C17H21N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20,21)
InChI Key:
BDXWQASIPDHNBR-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)nc2c1cccc2)NC1CCCCC1
EC Number:
275-161-5
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.375g/mol
Monoisotopic Mass:
283.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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