2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D549-1045 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C22 H21 F N6 O2 S2 |
| Smiles: | C1CC(CNC(CSc2nnc(c3c(c4cccnc4s3)N)n2c2ccc(cc2)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3941 |
| logD: | 2.394 |
| logSw: | -2.7657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.377 |
| InChI Key: | XTOXRQMGRNHDFN-OAHLLOKOSA-N |