AC1LLJ4X
5-benzylsulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_628480|AJ-292/12416057|2-(benzylsulfanyl)-6,6-dimethyl-3-(2-methyl-2-propenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|SR-01000454680-1|5-Benzylsulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one|2-(BENZYLSULFANYL)-6,6-DIMETHYL-3-(2-METHYLALLYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE|2-(benzylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|2-(benzylthio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C22H24N2O2S2 |
|---|---|
| Molecular Weight | 412.12793 g/mol |
| LogP | 5.1777 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.12793 |
| Monoisotopic Mass | 412.12793 |
| Heavy Atoms | 28 |
| Complexity | 1097.1625 |
Chemical Identifiers
| CAS Number | 330179-76-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CC(OC4)(C)C |
Product Overview
AC1LLJ4X (CAS 330179-76-5), with molecular formula C22H24N2O2S2 and molecular weight 412.12793 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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