N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-[(4-fluorophenyl)methyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0477 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C24 H24 F N5 O2 S2 |
| Smiles: | C1CCC(CCNC(CSc2nnc3N(Cc4ccc(cc4)F)C(c4c(ccs4)n23)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9631 |
| logD: | 3.9631 |
| logSw: | -4.0798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.836 |
| InChI Key: | SHEVGJNQHXASDS-UHFFFAOYSA-N |