3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8006-5177 |
| Compound Name: | 3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 402.53 |
| Molecular Formula: | C20 H22 N2 O3 S2 |
| Smiles: | CC1=CC(C)(C)NC(N1c1cccc(c1)OS(c1ccc(C)cc1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6537 |
| logD: | 4.6537 |
| logSw: | -4.4798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.613 |
| InChI Key: | LNPUZIATNBATHQ-UHFFFAOYSA-N |