1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0056 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 422.93 |
| Molecular Formula: | C18 H16 Cl F N4 O S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.098 |
| logD: | 5.098 |
| logSw: | -5.3971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.602 |
| InChI Key: | GVPWVTRUJZGLGL-UHFFFAOYSA-N |