phenyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
phenyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
phenyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D549-2986 |
| Compound Name: | phenyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C20 H17 N5 O2 S2 |
| Smiles: | C=CCn1c(c2c(c3cccnc3s2)N)nnc1SCC(=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7294 |
| logD: | 3.7278 |
| logSw: | -4.2948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.812 |
| InChI Key: | VSEDZXRTRQMMLF-UHFFFAOYSA-N |