ChemDiv2_007239
ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ChemDiv2_007239|IDI1_005954|F1604-0772|ethyl 4-(2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate|ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate|ethyl 4-(2-((6-oxo-5-(phenylsulfonyl)-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate|ethyl 4-[({[6-oxo-5-(phenylsulfonyl)-1,6-dihydropyrimidin-2-yl]thio}acetyl)amino]benzoate
CAS: 866809-01-0
| Molecular Formula | C21H19N3O6S2 |
|---|---|
| Molecular Weight | 473.07153 g/mol |
| LogP | 2.5102 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.07153 |
| Monoisotopic Mass | 473.07153 |
| Heavy Atoms | 32 |
| Complexity | 1272.8921 |
Chemical Identifiers
| CAS Number | 866809-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv2_007239 (CAS 866809-01-0), with molecular formula C21H19N3O6S2 and molecular weight 473.07153 g/mol. IUPAC: ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
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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