3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl acetate
Chemical Structure Depiction of
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl acetate
3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl acetate
Compound characteristics
| Compound ID: | 8005-2954 |
| Compound Name: | 3-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl acetate |
| Molecular Weight: | 290.38 |
| Molecular Formula: | C15 H18 N2 O2 S |
| Smiles: | CC1=CC(C)(C)NC(N1c1cccc(c1)OC(C)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7321 |
| logD: | 2.7321 |
| logSw: | -3.3418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.602 |
| InChI Key: | QMBIXUKWLVVVNY-UHFFFAOYSA-N |