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N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl

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摘 要: N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide,Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CO4,Isomeric SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(C[C@H]3CCCO3)C(=O)C4=CC=CO4,InChI: InChI=1/C
[Synonyms]

[Structure]
 N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl

[ Properties Computed from Structure]
Molecular Weight384.4488 [g/mol]
Molecular FormulaC20H20N2O4S
XLogP2.9
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Exact Mass384.114378
MonoIsotopic Mass384.114378
Topological Polar Surface Area64.8
Heavy Atom Count27
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(4-methoxyphenyl)-1,
3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CO4
Isomeric SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(C[C@H]3CCCO3)C(=O)C4=CC=CO4
InChI: InChI=1/C20H20N2O4S/c1-24-15-8-6-14(7-9-15)17-13-27-20(21-17)22(12-16-4-
2-10-25-16)19(23)18-5-3-11-26-18/h3,5-9,11,13,16H,2,4,10,12H2,
1H3/t16-/m1/s1

 
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