2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl benzenesulfonate
Chemical Structure Depiction of
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl benzenesulfonate
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl benzenesulfonate
Compound characteristics
| Compound ID: | Y505-4464 |
| Compound Name: | 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl benzenesulfonate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C18 H14 N2 O6 S2 |
| Smiles: | COc1cccc(C=C2C(NC(NC2=O)=S)=O)c1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4126 |
| logD: | 2.151 |
| logSw: | -2.9233 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.191 |
| InChI Key: | HZLIYZMSLJPGGI-UHFFFAOYSA-N |