2-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
2-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8006-3201 |
| Compound Name: | 2-(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(N1c1ccccc1OS(c1ccc(C)cc1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4545 |
| logD: | 4.4545 |
| logSw: | -4.3735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.398 |
| InChI Key: | DIKQWVKNYMWRLQ-UHFFFAOYSA-N |