AC1LYG4E
N-(4-methoxyphenyl)-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: Oprea1_378366|N-(4-methoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide|N-(4-methoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
CAS: 540773-41-9
| Molecular Formula | C29H26N4OS |
|---|---|
| Molecular Weight | 478.18274 g/mol |
| LogP | 6.6023 |
| Topological Polar Surface Area | 43.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.18274 |
| Monoisotopic Mass | 478.18274 |
| Heavy Atoms | 35 |
| Complexity | 1501.889 |
Chemical Identifiers
| CAS Number | 540773-41-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
AC1LYG4E (CAS 540773-41-9), with molecular formula C29H26N4OS and molecular weight 478.18274 g/mol. IUPAC: N-(4-methoxyphenyl)-2,6-diphenyl-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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