2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D549-1901 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C21 H19 Cl N6 O S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc(c2c(c3cccnc3s2)N)n1C1CC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8576 |
| logD: | 3.8557 |
| logSw: | -4.3332 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.867 |
| InChI Key: | RMLCJWGSAQFGBH-UHFFFAOYSA-N |