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(2R)-N-cyclohexyl-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophe

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摘 要: (2R)-N-cyclohexyl-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-,2-ylmethyl)amino]acetamide,Canonical SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CS3)C(=O)CC4=CC=CS4,Isomeric SMILES: C1CCC(CC1)NC(=O)[C@H](C2=CC=CS2)N(CC3=CC=CS3)C(=O)CC4=CC=C
[Synonyms]

[Structure]
 (2R)-N-cyclohexyl-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophe

[ Properties Computed from Structure]
Molecular Weight458.65974 [g/mol]
Molecular FormulaC23H26N2O2S3
XLogP2.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count8
Tautomer Count2
Exact Mass458.11564
MonoIsotopic Mass458.11564
Topological Polar Surface Area49.4
Heavy Atom Count30
Formal Charge0
Complexity585
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: (2R)-N-cyclohexyl-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-
2-ylmethyl)amino]acetamide
Canonical SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CS3)C(=O)CC4=CC=CS4
Isomeric SMILES: C1CCC(CC1)NC(=O)[C@H](C2=CC=CS2)N(CC3=CC=CS3)C(=O)CC4=CC=CS4
InChI: InChI=1/C23H26N2O2S3/c26-21(15-18-9-4-12-28-18)25(16-19-10-5-13-29-19)22
(20-11-6-14-30-20)23(27)24-17-7-2-1-3-8-17/h4-6,9-14,17,22H,1-3,7-8,
15-16H2,(H,24,27)/t22-/m0/s1/f/h24H

 
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