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ZINC00691259 cyclohexyl-[(2S)-2-[2-(phenylmethoxy)phenyl]-1,,3-thiazol

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摘 要:ZINC00691259 cyclohexyl-[(2S)-2-[2-(phenylmethoxy)phenyl]-1,,3-thiazolidin-3-yl]methanone,Canonical SMILES: C1CCC(CC1)C(=O)N2CCSC2C3=CC=CC=C3OCC4=CC=CC=C4,Isomeric SMILES: C1CCC(CC1)C(=O)N2CCS[C@H]2C3=CC=CC=C3OCC4=CC=CC=C4,InChI: InChI=1/C23H27NO2S/c
[Synonyms]
ZINC00691259
[Structure]
ZINC00691259 cyclohexyl-[(2S)-2-[2-(phenylmethoxy)phenyl]-1,,3-thiazol

[ Properties Computed from Structure]
Molecular Weight381.53098 [g/mol]
Molecular FormulaC23H27NO2S
XLogP5.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass381.17625
MonoIsotopic Mass381.17625
Topological Polar Surface Area29.5
Heavy Atom Count27
Formal Charge0
Complexity473
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: cyclohexyl-[(2S)-2-[2-(phenylmethoxy)phenyl]-1,
3-thiazolidin-3-yl]methanone
Canonical SMILES: C1CCC(CC1)C(=O)N2CCSC2C3=CC=CC=C3OCC4=CC=CC=C4
Isomeric SMILES: C1CCC(CC1)C(=O)N2CCS[C@H]2C3=CC=CC=C3OCC4=CC=CC=C4
InChI: InChI=1/C23H27NO2S/c25-22(19-11-5-2-6-12-19)24-15-16-27-23(24)20-13-7-8-
14-21(20)26-17-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19,23H,2,5-6,11-12,
15-17H2/t23-/m0/s1

 
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