AC1MXOF1
2-[(11-benzyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoic acid
Also Known As: Oprea1_601850|2-((3-benzyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid|2-[(3-benzyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CAS: 370076-38-3
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.0759 g/mol |
| LogP | 3.5602 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0759 |
| Monoisotopic Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1040.3591 |
Chemical Identifiers
| CAS Number | 370076-38-3 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC4=CC=CC=C4 |
Product Overview
AC1MXOF1 (CAS 370076-38-3), with molecular formula C19H18N2O3S2 and molecular weight 386.0759 g/mol. IUPAC: 2-[(11-benzyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoic 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.
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