2-ethyl-7-({[5-(2-fluorophenyl)-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-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-({[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0122 |
| Compound Name: | 2-ethyl-7-({[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C16 H13 F N6 O S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4ccccc4F)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4187 |
| logD: | 1.227 |
| logSw: | -2.91 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.681 |
| InChI Key: | CXTYQCQYGYSPPR-UHFFFAOYSA-N |