2-ethyl-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-ethyl-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-ethyl-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: | G565-0396 |
| Compound Name: | 2-ethyl-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: | 402.47 |
| Molecular Formula: | C17 H15 F N6 O S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4cccc(c4)F)n3C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1168 |
| logD: | 3.1136 |
| logSw: | -3.2684 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.258 |
| InChI Key: | KTTPRIJWYWRZMS-UHFFFAOYSA-N |