methyl 4-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D549-0079 |
| Compound Name: | methyl 4-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C19 H17 N5 O2 S2 |
| Smiles: | Cn1c(c2c(c3cccnc3s2)N)nnc1SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0708 |
| logD: | 3.0692 |
| logSw: | -3.1409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.763 |
| InChI Key: | JQGMOUPLZIFYSA-UHFFFAOYSA-N |