2-(ethylsulfanyl)-7-[(3-methylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-7-[(3-methylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(ethylsulfanyl)-7-[(3-methylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2808 |
| Compound Name: | 2-(ethylsulfanyl)-7-[(3-methylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C15 H15 N3 O2 S2 |
| Smiles: | CCSC1=NN2C(=NC(COc3cccc(C)c3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8351 |
| logD: | 3.8345 |
| logSw: | -3.887 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.189 |
| InChI Key: | SAQJSPBEHPAFCB-UHFFFAOYSA-N |