4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methoxybenzene-1-sulfonate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y505-4722 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C20 H18 N2 O7 S2 |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7411 |
| logD: | 2.3156 |
| logSw: | -3.4744 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.228 |
| InChI Key: | QNXDSDDRKIKKPP-UHFFFAOYSA-N |