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ASN 04392619 N,N-dicyclohexyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadi

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摘 要:ASN 04392619 N,N-dicyclohexyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N(C3CCCCC3)C4CCCCC4)OC,InChI: InChI=1/C24H33N3O4S/c1-29-20-13-17(14-21(15-20)30-2)23-25-26-24(31-23
[Synonyms]
ASN 04392619
[Structure]
ASN 04392619 N,N-dicyclohexyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadi

[ Properties Computed from Structure]
Molecular Weight459.60152 [g/mol]
Molecular FormulaC24H33N3O4S
XLogP6.2
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count8
Exact Mass459.219177
MonoIsotopic Mass459.219177
Topological Polar Surface Area77.7
Heavy Atom Count32
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N,N-dicyclohexyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]acetamide
Canonical SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N(C3CCCCC3)C4CCCCC4)OC
InChI: InChI=1/C24H33N3O4S/c1-29-20-13-17(14-21(15-20)30-2)23-25-26-24(31-23)
32-16-22(28)27(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12,
16H2,1-2H3

 
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