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Oprea1_334021,Oprea1_841003,ZINC00879550,BAS 02052635,EU-0073608,A2322

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摘 要:Oprea1_334021,Oprea1_841003,ZINC00879550,BAS 02052635,EU-0073608,A2322/0097951, 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5,,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide,Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N,In
[Synonyms]
Oprea1_334021
Oprea1_841003
ZINC00879550
BAS 02052635
EU-0073608
A2322/0097951

[Structure]
Oprea1_334021,Oprea1_841003,ZINC00879550,BAS 02052635,EU-0073608,A2322

[ Properties Computed from Structure]
Molecular Weight364.84648 [g/mol]
Molecular FormulaC17H17ClN2O3S
XLogP2
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count7
Exact Mass364.064841
MonoIsotopic Mass364.064841
Topological Polar Surface Area81.4
Heavy Atom Count24
Formal Charge0
Complexity493
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: 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5,
6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N
InChI: InChI=1/C17H17ClN2O3S/c1-9-7-10(18)5-6-12(9)23-8-14(21)20-17-15(16(19)
22)11-3-2-4-13(11)24-17/h5-7H,2-4,8H2,1H3,(H2,19,22)(H,20,21)/f/h20H,
19H2

 
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