AC1LYKLB
6-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: Oprea1_587046|1-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide|4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
CAS: 540775-91-5
| Molecular Formula | C29H25ClN4OS |
|---|---|
| Molecular Weight | 512.14374 g/mol |
| LogP | 7.2557 |
| Topological Polar Surface Area | 43.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.14374 |
| Monoisotopic Mass | 512.14374 |
| Heavy Atoms | 36 |
| Complexity | 1553.6875 |
Chemical Identifiers
| CAS Number | 540775-91-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Cl |
Product Overview
AC1LYKLB (CAS 540775-91-5), with molecular formula C29H25ClN4OS and molecular weight 512.14374 g/mol. IUPAC: 6-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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