2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | D549-1858 |
Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide |
Molecular Weight: | 450.58 |
Molecular Formula: | C22 H22 N6 O S2 |
Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(c2c(c3cccnc3s2)N)n1C1CC1)=O |
Stereo: | ACHIRAL |
logP: | 3.883 |
logD: | 3.8814 |
logSw: | -3.9649 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.867 |
InChI Key: | MKHKGESJBRHWHH-UHFFFAOYSA-N |