AC1LO1PD
methyl 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
Also Known As: Oprea1_067084|AJ-292/37222024|methyl {[3-(2-methyl-2-propenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|Methyl 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate|methyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-((3-(2-methylallyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.0759 g/mol |
| LogP | 2.7879 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0759 |
| Monoisotopic Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 851.1079 |
Chemical Identifiers
| CAS Number | 330179-88-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCC3 |
Product Overview
AC1LO1PD (CAS 330179-88-9), with molecular formula C16H18N2O3S2 and molecular weight 350.0759 g/mol. IUPAC: methyl 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate.
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