7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2892 |
| Compound Name: | 7-[(3,5-dimethylphenoxy)methyl]-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)OCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.2898 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.042 |
| InChI Key: | AUFSRWLNJJSQNY-UHFFFAOYSA-N |