4-{2-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl}benzene-1-sulfonic acid
Chemical Structure Depiction of
4-{2-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl}benzene-1-sulfonic acid
4-{2-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl}benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 1317-0528 |
| Compound Name: | 4-{2-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl}benzene-1-sulfonic acid |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C17 H14 N4 O5 S2 |
| Smiles: | Cc1ccccc1N1C(C(\C(NC1=S)=O)=N/Nc1ccc(cc1)S(O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0312 |
| logD: | -13.7312 |
| logSw: | -2.3616 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.316 |
| InChI Key: | WKHMNSNUCATYOO-UHFFFAOYSA-N |