2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | D549-0631 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C22 H22 N6 O S2 |
| Smiles: | Cc1ccc(cc1C)n1c(c2c(c3cccnc3s2)N)nnc1SCC(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8973 |
| logD: | 3.8972 |
| logSw: | -4.052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.779 |
| InChI Key: | HIBRJVOHTIMUST-UHFFFAOYSA-N |