2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F798-0360 |
| Compound Name: | 2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide |
| Molecular Weight: | 465.95 |
| Molecular Formula: | C19 H17 Cl F N5 O2 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.391 |
| logD: | 4.3842 |
| logSw: | -4.4665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.032 |
| InChI Key: | KJFXDGZHOLNJSR-UHFFFAOYSA-N |