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MLS000573901,ZINC00977617,SMR000195488,AM-879/40742516,N-[(9H-fluoren-

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摘 要:MLS000573901,ZINC00977617,SMR000195488,AM-879/40742516,N-[(9H-fluoren-2-ylamino)carbonothioyl]-2-phenoxyacetamide, N-(9H-fluoren-2-ylcarbamothioyl)-2-(phenoxy)acetamide,Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4,InChI: InC
[Synonyms]
MLS000573901
ZINC00977617
SMR000195488
AM-879/40742516
N-[(9H-fluoren-2-ylamino)carbonothioyl]-2-phenoxyacetamide

[Structure]
MLS000573901,ZINC00977617,SMR000195488,AM-879/40742516,N-[(9H-fluoren-

[ Properties Computed from Structure]
Molecular Weight374.45552 [g/mol]
Molecular FormulaC22H18N2O2S
XLogP4.7
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count5
Exact Mass374.108899
MonoIsotopic Mass374.108899
Topological Polar Surface Area50.4
Heavy Atom Count27
Formal Charge0
Complexity534
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-(9H-fluoren-2-ylcarbamothioyl)-2-(phenoxy)acetamide
Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4
InChI: InChI=1/C22H18N2O2S/c25-21(14-26-18-7-2-1-3-8-18)24-22(27)23-17-10-11-
20-16(13-17)12-15-6-4-5-9-19(15)20/h1-11,13H,12,14H2,(H2,23,24,25,
27)/f/h23-24H

 
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