4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8006-3198 |
| Compound Name: | 4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 650.84 |
| Molecular Formula: | C33 H34 N2 O6 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)OS(c1ccc(C)cc1)(=O)=O)C1(C)CC(C)(C)NC(N1c1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2371 |
| logD: | 7.2371 |
| logSw: | -5.8287 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.967 |
| InChI Key: | YGMXQPDTHMXDSU-XIFFEERXSA-N |