AC1LYP9L
12-[(4-methoxyphenyl)methyl]-16-propylsulfanylspiro[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: ChemDiv1_024487|Oprea1_535353|HMS656J01|AJ-292/40857528|SR-01000480726-1|4-(4-methoxybenzyl)-1-(propylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|12-[(4-Methoxyphenyl)methyl]-16-propylsulfanylspiro[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|4-(4-methoxybenzyl)-1-(propylsulfanyl)-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one|4-(4-methoxybenzyl)-1-(propylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C29H32N4O2S |
|---|---|
| Molecular Weight | 500.2246 g/mol |
| LogP | 5.875 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.2246 |
| Monoisotopic Mass | 500.2246 |
| Heavy Atoms | 36 |
| Complexity | 1465.4036 |
Chemical Identifiers
| CAS Number | 373377-20-9 |
|---|---|
| SMILES | CCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
AC1LYP9L (CAS 373377-20-9), with molecular formula C29H32N4O2S and molecular weight 500.2246 g/mol. IUPAC: 12-[(4-methoxyphenyl)methyl]-16-propylsulfanylspiro[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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