3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 2-nitrobenzene-1-sulfonate
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8004-9196 |
| Compound Name: | 3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | CC1=CC(C)(C)NC(N1c1cccc(c1)OS(c1ccccc1[N+]([O-])=O)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7485 |
| logD: | 3.7485 |
| logSw: | -4.0796 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.693 |
| InChI Key: | YTJIRCKVXDODHW-UHFFFAOYSA-N |