2-ethyl-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-ethyl-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-ethyl-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: | G565-0451 |
| Compound Name: | 2-ethyl-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: | 428.53 |
| Molecular Formula: | C19 H20 N6 O2 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(COc4ccccc4C)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8887 |
| logD: | 2.8856 |
| logSw: | -3.2186 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.82 |
| InChI Key: | CTXNTQAOSANJPL-UHFFFAOYSA-N |