2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F798-0465 |
| Compound Name: | 2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C24 H20 F N5 O2 S2 |
| Smiles: | Cc1ccc(CNC(CSc2nnc3N(Cc4ccc(cc4)F)C(c4c(ccs4)n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2413 |
| logD: | 4.2413 |
| logSw: | -4.214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.802 |
| InChI Key: | MCKJKRDLBFGSHE-UHFFFAOYSA-N |