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1157922-32-1 | 3-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CAS No: 1157922-32-1 Catalog No: AG01AH3Z MDL No:MFCD12719339
Product Description
Catalog Number:
AG01AH3Z
Chemical Name:
3-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CAS Number:
1157922-32-1
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
MDL Number:
MFCD12719339
IUPAC Name:
1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
InChI:
InChI=1S/C16H17N3O/c20-16(18-13-6-2-1-3-7-13)19-15-8-4-5-12-11-17-10-9-14(12)15/h1-8,17H,9-11H2,(H2,18,19,20)
InChI Key:
LVJUMRRTDBONLX-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1CCNC2)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:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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