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88138-30-1 | Urea, N-ethyl-N'-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS No: 88138-30-1 Catalog No: AG004DGG MDL No:
Product Description
Catalog Number:
AG004DGG
Chemical Name:
Urea, N-ethyl-N'-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS Number:
88138-30-1
Molecular Formula:
C17H24N4O2
Molecular Weight:
316.3981
IUPAC Name:
1-ethyl-3-[4-(5-imidazol-1-ylpentoxy)phenyl]urea
InChI:
InChI=1S/C17H24N4O2/c1-2-19-17(22)20-15-6-8-16(9-7-15)23-13-5-3-4-11-21-12-10-18-14-21/h6-10,12,14H,2-5,11,13H2,1H3,(H2,19,20,22)
InChI Key:
RHIDJVOMYTXSST-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1)OCCCCCn1cncc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.405g/mol
Monoisotopic Mass:
316.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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