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5427-44-1 | 1-benzyl-1-(quinolin-4-ylmethyl)urea
CAS No: 5427-44-1 Catalog No: AG00DOJ6 MDL No:
Product Description
Catalog Number:
AG00DOJ6
Chemical Name:
1-benzyl-1-(quinolin-4-ylmethyl)urea
CAS Number:
5427-44-1
IUPAC Name:
1-benzyl-1-(quinolin-4-ylmethyl)urea
InChI:
InChI=1S/C18H17N3O/c19-18(22)21(12-14-6-2-1-3-7-14)13-15-10-11-20-17-9-5-4-8-16(15)17/h1-11H,12-13H2,(H2,19,22)
InChI Key:
ABDQYCZWFWHRKN-UHFFFAOYSA-N
NSC Number:
13032
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.354g/mol
Monoisotopic Mass:
291.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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