AC1MEVQS
13-tert-butyl-7-methyl-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: AJ-292/40675196|SR-01000240961-1|8-(tert-butyl)-1-mercapto-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|8-tert-butyl-4-methyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|8-tert-butyl-4-methyl-1-thioxo-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C16H20N4OS2 |
|---|---|
| Molecular Weight | 348.10785 g/mol |
| LogP | 3.45629 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.10785 |
| Monoisotopic Mass | 348.10785 |
| Heavy Atoms | 23 |
| Complexity | 1044.5538 |
Chemical Identifiers
| CAS Number | 375357-07-6 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)C |
Product Overview
AC1MEVQS (CAS 375357-07-6), with molecular formula C16H20N4OS2 and molecular weight 348.10785 g/mol. IUPAC: 13-tert-butyl-7-methyl-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.