2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | D549-2955 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C20 H16 Cl2 N6 O S2 |
| Smiles: | C=CCn1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4236 |
| logD: | 4.4137 |
| logSw: | -4.4265 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.209 |
| InChI Key: | NABWKQYYSMJZRC-UHFFFAOYSA-N |