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117121-36-5

117121-36-5 | Urea, N,N-dimethyl-N'-[4-[[1-(phenylmethyl)-1H-tetrazol-5-yl]oxy]phenyl]-

CAS No: 117121-36-5 Catalog No: AG000DS9 MDL No:

Product Description

Catalog Number:
AG000DS9
Chemical Name:
Urea, N,N-dimethyl-N'-[4-[[1-(phenylmethyl)-1H-tetrazol-5-yl]oxy]phenyl]-
CAS Number:
117121-36-5
Molecular Formula:
C17H18N6O2
Molecular Weight:
338.3638
IUPAC Name:
3-[4-(1-benzyltetrazol-5-yl)oxyphenyl]-1,1-dimethylurea
InChI:
InChI=1S/C17H18N6O2/c1-22(2)16(24)18-14-8-10-15(11-9-14)25-17-19-20-21-23(17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,18,24)
InChI Key:
AEZGCSUUKUFFRY-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(cc1)Oc1nnnn1Cc1ccccc1

Properties

Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.149g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.371g/mol
Monoisotopic Mass:
338.149g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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