AC1LREQ0
[5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione
Also Known As: (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione|[5-(2-chloro-4-nitro-phenyl)-2-furyl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione|[5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione|[5-(2-chloro-4-nitrophenyl)furan-2-yl][4-(2-methylphenyl)piperazin-1-yl]methanethione
| Molecular Formula | C22H20ClN3O3S |
|---|---|
| Molecular Weight | 441.0914 g/mol |
| LogP | 5.31432 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0914 |
| Monoisotopic Mass | 441.0914 |
| Heavy Atoms | 30 |
| Complexity | 1106.5122 |
Chemical Identifiers
| CAS Number | 714285-91-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
AC1LREQ0 (CAS 714285-91-3), with molecular formula C22H20ClN3O3S and molecular weight 441.0914 g/mol. IUPAC: [5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione.
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