CBMicro_038178
12-(4-methylphenyl)-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_038178|Oprea1_643221|BAS 01312929|BIM-0038225.P001|1-mercapto-4-(p-tolyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(4-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(4-methylphenyl)-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4 ,3-a]quinazoline-6,1'-cyclohexane]-5-one
| Molecular Formula | C25H24N4OS |
|---|---|
| Molecular Weight | 428.16708 g/mol |
| LogP | 5.27621 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.16708 |
| Monoisotopic Mass | 428.16708 |
| Heavy Atoms | 31 |
| Complexity | 1435.3964 |
Chemical Identifiers
| CAS Number | 337488-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S |
Product Overview
CBMicro_038178 (CAS 337488-18-3), with molecular formula C25H24N4OS and molecular weight 428.16708 g/mol. IUPAC: 12-(4-methylphenyl)-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.
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