N-(3-chloro-4-fluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F798-0231 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C20 H19 Cl F N5 O2 S2 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8143 |
| logD: | 4.8077 |
| logSw: | -4.8682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.73 |
| InChI Key: | MIYZOWTUDXIIEH-UHFFFAOYSA-N |