2-phenyl-7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-phenyl-7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-phenyl-7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3686 |
| Compound Name: | 2-phenyl-7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | C=CCc1ccccc1OCC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3344 |
| logD: | 4.334 |
| logSw: | -4.5959 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.585 |
| InChI Key: | NCUFIBBRIGOIAG-UHFFFAOYSA-N |