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AIDS193012,AIDS-193012,3-Isoxazoleethanol, 5-[3-[2,6-dimethyl-4-(2-met

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摘 要:AIDS193012,AIDS-193012,3-Isoxazoleethanol, 5-[3-[2,6-dimethyl-4-(2-methyl-2H-tetrazol-5-yl)phenoxy]propyl]-alpha-methyl-, 1-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,,2-oxazol-3-yl]propan-2-ol,Canonical SMILES: CC1=CC(=CC(=C1OCCC
[Synonyms]
AIDS193012
AIDS-193012
3-Isoxazoleethanol, 5-[3-[2,6-dimethyl-4-(2-methyl-2H-tetrazol-5-yl)phenoxy]propyl]-alpha-methyl-

[Structure]
AIDS193012,AIDS-193012,3-Isoxazoleethanol, 5-[3-[2,6-dimethyl-4-(2-met

[ Properties Computed from Structure]
Molecular Weight371.4335 [g/mol]
Molecular FormulaC19H25N5O3
XLogP3.3
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Exact Mass371.19574
MonoIsotopic Mass371.19574
Topological Polar Surface Area99.1
Heavy Atom Count27
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,
2-oxazol-3-yl]propan-2-ol
Canonical SMILES: CC1=CC(=CC(=C1OCCCC2=CC(=NO2)CC(C)O)C)C3=NN(N=N3)C
InChI: InChI=1/C19H25N5O3/c1-12-8-15(19-20-23-24(4)21-19)9-13(2)18(12)26-7-5-6-
17-11-16(22-27-17)10-14(3)25/h8-9,11,14,25H,5-7,10H2,1-4H3

 
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