7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G565-0602 |
| Compound Name: | 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C21 H24 N6 O2 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(COc4ccccc4C)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7345 |
| logD: | 3.7333 |
| logSw: | -4.1359 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.82 |
| InChI Key: | NWMBRQTYGFFEQY-UHFFFAOYSA-N |