2-cyclohexyl-7-({[5-(3-fluorophenyl)-4-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-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-cyclohexyl-7-({[5-(3-fluorophenyl)-4-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: | G565-0996 |
| Compound Name: | 2-cyclohexyl-7-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C21 H21 F N6 O S2 |
| Smiles: | Cn1c(c2cccc(c2)F)nnc1SCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5623 |
| logD: | 4.5622 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.275 |
| InChI Key: | NLSHFEYTIKUADY-UHFFFAOYSA-N |