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1016743-88-6 | 3-cyclohexyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CAS No: 1016743-88-6 Catalog No: AG01AH6Q MDL No:MFCD09816886
Product Description
Catalog Number:
AG01AH6Q
Chemical Name:
3-cyclohexyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CAS Number:
1016743-88-6
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
MDL Number:
MFCD09816886
IUPAC Name:
1-cyclohexyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
InChI:
InChI=1S/C16H23N3O/c20-16(18-12-6-2-1-3-7-12)19-15-10-4-9-14-13(15)8-5-11-17-14/h4,9-10,12,17H,1-3,5-8,11H2,(H2,18,19,20)
InChI Key:
NDOJFQKSTXJQHE-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1CCCN2)NC1CCCCC1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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