3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | F084-0218 |
| Compound Name: | 3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C20 H22 N6 O4 S2 |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCC(NCCc3ccc(cc3)S(N)(=O)=O)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0547 |
| logD: | -0.0554 |
| logSw: | -2.1911 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.637 |
| InChI Key: | KSRRMDFTBUSEBT-UHFFFAOYSA-N |