2-methyl-7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0149 |
| Compound Name: | 2-methyl-7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C18 H18 N6 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(COc4ccccc4C)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.5174 |
| logD: | 2.5149 |
| logSw: | -2.4966 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.09 |
| InChI Key: | KWENEMDFSNLTHL-UHFFFAOYSA-N |