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Oprea1_164521,Oprea1_427418,ZINC00920870,BAS 03715678,EU-0098353, N-(2

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摘 要:Oprea1_164521,Oprea1_427418,ZINC00920870,BAS 03715678,EU-0098353, N-(2-ethoxyphenyl)-2-[(3-methylthiophen-2-yl)methylamino]-5,,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide,Canonical SMILES: CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NCC4=C(C=CS4)C,InCh
[Synonyms]
Oprea1_164521
Oprea1_427418
ZINC00920870
BAS 03715678
EU-0098353

[Structure]
Oprea1_164521,Oprea1_427418,ZINC00920870,BAS 03715678,EU-0098353, N-(2

[ Properties Computed from Structure]
Molecular Weight412.56816 [g/mol]
Molecular FormulaC22H24N2O2S2
XLogP3.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count5
Exact Mass412.127919
MonoIsotopic Mass412.127919
Topological Polar Surface Area50.4
Heavy Atom Count28
Formal Charge0
Complexity535
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-(2-ethoxyphenyl)-2-[(3-methylthiophen-2-yl)methylamino]-5,
6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide
Canonical SMILES: CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NCC4=C(C=CS4)C
InChI: InChI=1/C22H24N2O2S2/c1-3-26-17-9-5-4-8-16(17)24-21(25)20-15-7-6-10-18
(15)28-22(20)23-13-19-14(2)11-12-27-19/h4-5,8-9,11-12,23H,3,6-7,10,13H2,
1-2H3,(H,24,25)/f/h24H

 
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