2-ethyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3541 |
| Compound Name: | 2-ethyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 355.34 |
| Molecular Formula: | C15 H12 F3 N3 O2 S |
| Smiles: | CCC1=NN2C(=NC(COc3cccc(c3)C(F)(F)F)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4628 |
| logD: | 3.4563 |
| logSw: | -3.8357 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.673 |
| InChI Key: | ILUNDLPLMUYLCG-UHFFFAOYSA-N |