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-(3-methylbutyl)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-(3-methylbutyl)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-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | F798-0478 |
| 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-(3-methylbutyl)acetamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C21 H22 F N5 O2 S2 |
| Smiles: | CC(C)CCNC(CSc1nnc2N(Cc3ccc(cc3)F)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6855 |
| logD: | 3.6855 |
| logSw: | -3.9058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.915 |
| InChI Key: | JLBRTHBVWGOEPL-UHFFFAOYSA-N |