AC1LEFDG
12,12-dimethyl-4-(2-methylpropyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: CBMicro_015866|ChemDiv1_006093|Oprea1_847210|HMS604E21|BIM-0015962.P001|AJ-292/15365040|3-isobutyl-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|SR-01000228760-1|12,12-Dimethyl-4-(2-methylpropyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one|3-isobutyl-6,6-dimethyl-2-thioxo-2,3,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|6,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|6,6-dimethyl-3-(2-methylpropyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H20N2O2S2 |
|---|---|
| Molecular Weight | 324.09662 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09662 |
| Monoisotopic Mass | 324.09662 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 351007-23-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(NC1=S)SC3=C2CC(OC3)(C)C |
| InChIKey | ZKFALRSWUBURMG-UHFFFAOYSA-N |
Product Overview
AC1LEFDG (CAS 351007-23-3), with molecular formula C15H20N2O2S2 and molecular weight 324.09662 g/mol. IUPAC: 12,12-dimethyl-4-(2-methylpropyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.