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1019116-11-0 | 3-(3-methylphenyl)-1-(1,2,3,4-tetrahydroquinolin-8-yl)urea
CAS No: 1019116-11-0 Catalog No: AG01AH33 MDL No:MFCD09804030
Product Description
Catalog Number:
AG01AH33
Chemical Name:
3-(3-methylphenyl)-1-(1,2,3,4-tetrahydroquinolin-8-yl)urea
CAS Number:
1019116-11-0
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
MDL Number:
MFCD09804030
IUPAC Name:
1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
InChI:
InChI=1S/C17H19N3O/c1-12-5-2-8-14(11-12)19-17(21)20-15-9-3-6-13-7-4-10-18-16(13)15/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3,(H2,19,20,21)
InChI Key:
UVKFWCIBBRSIID-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1NCCC2)Nc1cccc(c1)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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