2-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3711 |
| Compound Name: | 2-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 403.38 |
| Molecular Formula: | C19 H12 F3 N3 O2 S |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)Oc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1426 |
| logD: | 4.1423 |
| logSw: | -4.4231 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.498 |
| InChI Key: | ZNOXOCPWZOYRHN-UHFFFAOYSA-N |