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117121-45-6 | Urea, N'-[4-[(2-cyclohexyl-2H-tetrazol-5-yl)oxy]phenyl]-N,N-dimethyl-
CAS No: 117121-45-6 Catalog No: AG000DS7 MDL No:
Product Description
Catalog Number:
AG000DS7
Chemical Name:
Urea, N'-[4-[(2-cyclohexyl-2H-tetrazol-5-yl)oxy]phenyl]-N,N-dimethyl-
CAS Number:
117121-45-6
Molecular Formula:
C16H22N6O2
Molecular Weight:
330.3849
IUPAC Name:
3-[4-(2-cyclohexyltetrazol-5-yl)oxyphenyl]-1,1-dimethylurea
InChI:
InChI=1S/C16H22N6O2/c1-21(2)16(23)17-12-8-10-14(11-9-12)24-15-18-20-22(19-15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,17,23)
InChI Key:
BPLTVHIEVUPYDG-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(cc1)Oc1nnn(n1)C1CCCCC1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.18g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.392g/mol
Monoisotopic Mass:
330.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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