AC1N6JTR
7-benzyl-13-tert-butyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: Oprea1_595755|4-benzyl-8-(tert-butyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|4-benzyl-8-tert-butyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
CAS: 374102-75-7
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.16708 g/mol |
| LogP | 4.305 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.16708 |
| Monoisotopic Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 1226.8646 |
Chemical Identifiers
| CAS Number | 374102-75-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=CN34)CC5=CC=CC=C5 |
Product Overview
AC1N6JTR (CAS 374102-75-7), with molecular formula C22H24N4OS and molecular weight 392.16708 g/mol. IUPAC: 7-benzyl-13-tert-butyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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.
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