methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D549-1067 |
| Compound Name: | methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H14 F N5 O2 S2 |
| Smiles: | COC(CSc1nnc(c2c(c3cccnc3s2)N)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8773 |
| logD: | 2.8772 |
| logSw: | -3.1203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.102 |
| InChI Key: | CCUVBVPEBUAYMZ-UHFFFAOYSA-N |