5-(4-ethoxybenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-(4-ethoxybenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-(4-ethoxybenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-6435 |
| Compound Name: | 5-(4-ethoxybenzene-1-sulfonyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 312.36 |
| Molecular Formula: | C12 H12 N2 O4 S2 |
| Smiles: | CCOc1ccc(cc1)S(C1=CNC(NC1=O)=S)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.405 |
| logD: | 1.1313 |
| logSw: | -2.3966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.617 |
| InChI Key: | PKNNDBLEISJTSC-UHFFFAOYSA-N |