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1157922-56-9 | 3-(3-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CAS No: 1157922-56-9 Catalog No: AG01AH5N MDL No:MFCD13806052
Product Description
Catalog Number:
AG01AH5N
Chemical Name:
3-(3-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CAS Number:
1157922-56-9
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
MDL Number:
MFCD13806052
IUPAC Name:
1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
InChI:
InChI=1S/C17H19N3O/c1-12-4-2-6-14(10-12)19-17(21)20-16-7-3-5-13-11-18-9-8-15(13)16/h2-7,10,18H,8-9,11H2,1H3,(H2,19,20,21)
InChI Key:
WXFORYBYXLAHIH-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1CCNC2)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:
2.3
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