AC1MXFLE
13-tert-butyl-7-phenyl-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: Oprea1_052086|8-(tert-butyl)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one|8-tert-butyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
CAS: 373376-23-9
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.14667 g/mol |
| LogP | 3.6409 |
| Topological Polar Surface Area | 65.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.14667 |
| Monoisotopic Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 1212.6 |
Chemical Identifiers
| CAS Number | 373376-23-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=NN34)C5=CC=CC=C5 |
Product Overview
AC1MXFLE (CAS 373376-23-9), with molecular formula C20H21N5OS and molecular weight 379.14667 g/mol. IUPAC: 13-tert-butyl-7-phenyl-16-thia-2,3,4,5,7-pentazatetracyclo[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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