4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8008-3614 |
| Compound Name: | 4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 574.74 |
| Molecular Formula: | C27 H30 N2 O6 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)OS(c1ccc(C)cc1)(=O)=O)C1(C)CC(C)(C)NC(N1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8322 |
| logD: | 5.8322 |
| logSw: | -5.6325 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.379 |
| InChI Key: | HFXPZAZOLLGVMY-MHZLTWQESA-N |