methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D549-2015 |
| Compound Name: | methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C20 H19 N5 O2 S2 |
| Smiles: | CCn1c(c2c(c3cccnc3s2)N)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.857 |
| logD: | 3.8554 |
| logSw: | -4.1012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.678 |
| InChI Key: | ZFNWUPRRBUAIGO-UHFFFAOYSA-N |