AC1NY0BA structure

AC1NY0BA

2-(1,3-benzothiazol-2-yl)-4-(3-methoxypropyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

Also Known As: BAS 01257336|SR-01000315468-1|(4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one|(E)-2-(benzo[d]thiazol-2-yl)-4-(((3-methoxypropyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one|2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-methoxypropyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one|2-(1,3-BENZOTHIAZOL-2-YL)-4-{[(3-METHOXYPROPYL)IMINO]METHYL}-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE

CAS: 337341-10-3
Molecular Formula C16H15F3N4O2S
Molecular Weight 384.0868 g/mol
LogP 3.2495
Topological Polar Surface Area 72.27 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 384.0868
Monoisotopic Mass 384.0868
Heavy Atoms 26
Complexity 954.445

Chemical Identifiers

CAS Number 337341-10-3
SMILES COCCCN=CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

Product Overview

AC1NY0BA (CAS 337341-10-3), with molecular formula C16H15F3N4O2S and molecular weight 384.0868 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-methoxypropyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

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