4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3202-0265 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C18 H14 N2 O6 S2 |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4281 |
| logD: | 2.0025 |
| logSw: | -3.0294 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.104 |
| InChI Key: | WRZAEHAIMPRICA-UHFFFAOYSA-N |