AC1OACIV
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol|(4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(3-fluoroanilino)ethylidene]pyrazol-3-one|(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(3-fluoroanilino)ethylidene]pyrazol-3-one|(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-fluorophenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one|(Z)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(1-((3-fluorophenyl)amino)ethylidene)-1H-pyrazol-5(4H)-one|1-benzothiazol-2-yl-3-[(4-chlorophenylthio)methyl]-4-{[(3-fluorophenyl)amino]e thylidene}-1,2-diazolin-5-one|2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(3-fluoroanilino)ethylidene]pyrazol-3-one|2-(1,3-Benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-fluoroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C25H18ClFN4OS2 |
|---|---|
| Molecular Weight | 508.05945 g/mol |
| LogP | 7.0008 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.05945 |
| Monoisotopic Mass | 508.05945 |
| Heavy Atoms | 34 |
| Complexity | 1537.151 |
Chemical Identifiers
| CAS Number | 5652-98-2 |
|---|---|
| SMILES | CC(=NC1=CC(=CC=C1)F)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl |
Product Overview
AC1OACIV (CAS 5652-98-2), with molecular formula C25H18ClFN4OS2 and molecular weight 508.05945 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one.