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917785-44-5 | Urea, N-(3-butyl-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-3-quinolinyl)-
CAS No: 917785-44-5 Catalog No: AG006OBU MDL No:
Product Description
Catalog Number:
AG006OBU
Chemical Name:
Urea, N-(3-butyl-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-3-quinolinyl)-
CAS Number:
917785-44-5
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
(3-butyl-1-methyl-2,4-dioxoquinolin-3-yl)urea
InChI:
InChI=1S/C15H19N3O3/c1-3-4-9-15(17-14(16)21)12(19)10-7-5-6-8-11(10)18(2)13(15)20/h5-8H,3-4,9H2,1-2H3,(H3,16,17,21)
InChI Key:
PBWIOBFGPHNCAI-UHFFFAOYSA-N
SMILES:
CCCCC1(NC(=O)N)C(=O)N(C)c2c(C1=O)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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