7-[(2,3-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(2,3-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(2,3-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3531 |
| Compound Name: | 7-[(2,3-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CCC1=NN2C(=NC(COc3cccc(C)c3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5176 |
| logD: | 3.5111 |
| logSw: | -3.5923 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.76 |
| InChI Key: | BQTLQDUQNUUWPV-UHFFFAOYSA-N |