7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0300 |
| Compound Name: | 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C20 H22 N6 O2 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nnc(COc4ccccc4C)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.343 |
| logD: | 3.339 |
| logSw: | -3.6368 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.917 |
| InChI Key: | XKGBZKCDBHTOOF-UHFFFAOYSA-N |