AC1LLKEE
methyl 2-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: CBMicro_017144|ChemDiv1_003498|HMS596O22|BIM-0017231.P001|SR-01000431445-1|methyl 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate|methyl [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate|METHYL 2-[(6,6-DIMETHYL-4-OXO-3-PHENYL-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.08646 g/mol |
| LogP | 3.5636 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.08646 |
| Monoisotopic Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 1102.8314 |
Chemical Identifiers
| CAS Number | 314042-05-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=CC=C4)C |
Product Overview
AC1LLKEE (CAS 314042-05-2), with molecular formula C20H20N2O4S2 and molecular weight 416.08646 g/mol. IUPAC: methyl 2-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
AC1LLKEE is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »