2-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3734 |
| Compound Name: | 2-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 417.41 |
| Molecular Formula: | C20 H14 F3 N3 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(COc3cccc(c3)C(F)(F)F)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5929 |
| logD: | 4.5925 |
| logSw: | -4.6083 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.498 |
| InChI Key: | ATTXDXWECOKRCZ-UHFFFAOYSA-N |