methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D549-0227 |
| Compound Name: | methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C18 H21 N5 O2 S2 |
| Smiles: | COC(CSc1nnc(c2c(c3cccnc3s2)N)n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1463 |
| logD: | 3.1447 |
| logSw: | -3.002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.935 |
| InChI Key: | SHDNRIOBSLDFQJ-UHFFFAOYSA-N |