AC1LYP89
12-(4-methoxyphenyl)-16-prop-2-enylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: 1-(allylthio)-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C28H28N4O2S |
|---|---|
| Molecular Weight | 484.1933 g/mol |
| LogP | 5.5919 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1933 |
| Monoisotopic Mass | 484.1933 |
| Heavy Atoms | 35 |
| Complexity | 1479.6124 |
Chemical Identifiers
| CAS Number | 373376-95-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC=C |
Product Overview
AC1LYP89 (CAS 373376-95-5), with molecular formula C28H28N4O2S and molecular weight 484.1933 g/mol. IUPAC: 12-(4-methoxyphenyl)-16-prop-2-enylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
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