AC1LZCVD
12-(4-methoxyphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
Also Known As: CBMicro_038301|Oprea1_367106|Oprea1_475168|BAS 01312895|BIM-0038243.P001|AJ-292/13093117|1-mercapto-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-sulfanylidene-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|12-(4-methoxyphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one|4-(4-methoxyphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(4-methoxyphenyl)-1-sulfanyl-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one|4-(4-methoxyphenyl)-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[ 4,3-a]quinazoline-6,1'-cyclohexane]-5-one
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.162 g/mol |
| LogP | 4.97639 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.162 |
| Monoisotopic Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1456.3164 |
Chemical Identifiers
| CAS Number | 337487-91-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S |
Product Overview
AC1LZCVD (CAS 337487-91-9), with molecular formula C25H24N4O2S and molecular weight 444.162 g/mol. IUPAC: 12-(4-methoxyphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.