7-[(2,5-dimethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(2,5-dimethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(2,5-dimethylphenoxy)methyl]-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2817 |
| Compound Name: | 7-[(2,5-dimethylphenoxy)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: | CCSC1=NN2C(=NC(COc3cc(C)ccc3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2664 |
| logD: | 4.2658 |
| logSw: | -4.297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.276 |
| InChI Key: | VHZHUAAZMDLLAN-UHFFFAOYSA-N |