AC1NWDCK

2-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethyliminomethyl)-5-propyl-1H-pyrazol-3-one

Also Known As: Oprea1_096664|Oprea1_167735|BAS 01257421|AK-968/13408134|2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-propylpyrazol-3-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-propylpyrazol-3-one|(4E)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one|(E)-2-(benzo[d]thiazol-2-yl)-5-propyl-4-((((tetrahydrofuran-2-yl)methyl)imino)methyl)-1H-pyrazol-3(2H)-one|2-(1,3-benzothiazol-2-yl)-5-propyl-4-{(E)-[(tetrahydrofuran-2-ylmethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one|2-(1,3-BENZOTHIAZOL-2-YL)-5-PROPYL-4-{(E)-1-[(TETRAHYDRO-2-FURANYLMETHYL)AMINO]METHYLIDENE}-2,4-DIHYDRO-3H-PYRAZOL-3-ONE|2-(1,3-benzothiazol-2-yl)-5-propyl-4-{[(tetrahydro-2-furanylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-5-propyl-4-{[(tetrahydro-2-furanylmethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one|2-Benzothiazol-2-yl-5-propyl-4-{[(E)-tetrahydro-furan-2-ylmethylimino]-methyl}-1,2-dihydro-pyrazol-3-one

Molecular Formula	C19H22N4O2S
Molecular Weight	370.14636 g/mol
LogP	3.6
Topological Polar Surface Area	95.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	370.14636
Monoisotopic Mass	370.14636
Heavy Atoms	26
Complexity	594.0

Chemical Identifiers

CAS Number	337341-82-9
SMILES	CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCC4CCCO4
InChIKey	GTFVTOIVKNLZIX-UHFFFAOYSA-N