7-[(4-ethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(4-ethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-ethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2821 |
| Compound Name: | 7-[(4-ethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C16 H17 N3 O2 S2 |
| Smiles: | CCc1ccc(cc1)OCC1=CC(N2C(=N1)SC(=N2)SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2745 |
| logD: | 4.2739 |
| logSw: | -4.1644 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.189 |
| InChI Key: | HOFHMZGCDMIQII-UHFFFAOYSA-N |