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648420-68-2 | Urea, N-5-isoquinolinyl-N'-propyl-
CAS No: 648420-68-2 Catalog No: AG006TOJ MDL No:
Product Description
Catalog Number:
AG006TOJ
Chemical Name:
Urea, N-5-isoquinolinyl-N'-propyl-
CAS Number:
648420-68-2
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
1-isoquinolin-5-yl-3-propylurea
InChI:
InChI=1S/C13H15N3O/c1-2-7-15-13(17)16-12-5-3-4-10-9-14-8-6-11(10)12/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17)
InChI Key:
QZNFLZUZJOPTHN-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Nc1cccc2c1ccnc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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