2-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | G565-1047 |
| Compound Name: | 2-cyclohexyl-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: | 482.63 |
| Molecular Formula: | C23 H26 N6 O2 S2 |
| Smiles: | Cc1ccccc1OCc1nnc(n1C)SCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3342 |
| logD: | 4.3341 |
| logSw: | -4.5005 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.837 |
| InChI Key: | AICSXOACHFSCIW-UHFFFAOYSA-N |