AC1MDKL6
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)butanoic acid
Also Known As: Oprea1_163818|Oprea1_329022|2-(4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)butanoic acid|AE-641/41508829|2-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3-yl)butanoic acid|2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)butanoic acid|2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-3-yl)but anoic acid
CAS: 446830-17-7
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.0725 g/mol |
| LogP | 1.9824 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0725 |
| Monoisotopic Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 716.482 |
Chemical Identifiers
| CAS Number | 446830-17-7 |
|---|---|
| SMILES | CCC(C(=O)O)N1C=NC2=C(C1=O)C3=C(S2)CCC3 |
Product Overview
AC1MDKL6 (CAS 446830-17-7), with molecular formula C13H14N2O3S and molecular weight 278.0725 g/mol. IUPAC: 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)butanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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