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-(4-chloro-2-methylphenyl)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-(4-chloro-2-methylphenyl)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-(4-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D549-2972 |
| 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-(4-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C21 H19 Cl N6 O S2 |
| Smiles: | Cc1cc(ccc1NC(CSc1nnc(c2c(c3cccnc3s2)N)n1CC=C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3425 |
| logD: | 4.3408 |
| logSw: | -4.5831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.209 |
| InChI Key: | LGFCTFJXJGJYIZ-UHFFFAOYSA-N |