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Oprea1_550186,ZINC00881518,ASN 03433703,T5367927,N-(4,5-Dihydro-naphth

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摘 要:Oprea1_550186,ZINC00881518,ASN 03433703,T5367927,N-(4,5-Dihydro-naphtho[1,2-d]thiazol-2-yl)-2-o-tolyloxy-acetamide, N-(4,5-dihydrobenzo[e][1,,3]benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide,Canonical SMILES: CC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)CCC4=CC=
[Synonyms]
Oprea1_550186
ZINC00881518
ASN 03433703
T5367927
N-(4,5-Dihydro-naphtho[1,2-d]thiazol-2-yl)-2-o-tolyloxy-acetamide

[Structure]
Oprea1_550186,ZINC00881518,ASN 03433703,T5367927,N-(4,5-Dihydro-naphth

[ Properties Computed from Structure]
Molecular Weight350.43412 [g/mol]
Molecular FormulaC20H18N2O2S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count3
Exact Mass350.108899
MonoIsotopic Mass350.108899
Topological Polar Surface Area51.2
Heavy Atom Count25
Formal Charge0
Complexity475
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-(4,5-dihydrobenzo[e][1,
3]benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
Canonical SMILES: CC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43
InChI: InChI=1/C20H18N2O2S/c1-13-6-2-5-9-16(13)24-12-18(23)21-20-22-19-15-8-4-
3-7-14(15)10-11-17(19)25-20/h2-9H,10-12H2,1H3,(H,21,22,23)/f/h21H

 
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