7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2752 |
| Compound Name: | 7-[(3,4-dimethylphenoxy)methyl]-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C15 H15 N3 O2 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(C)c(C)c3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3048 |
| logD: | 3.2997 |
| logSw: | -3.413 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.943 |
| InChI Key: | UDEHUCKVHKCINB-UHFFFAOYSA-N |