diethyl 5-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
diethyl 5-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4555-3525 |
| Compound Name: | diethyl 5-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C26 H26 N4 O5 S |
| Smiles: | CCOC(c1cc(cc(c1)n1c(C)cc(C(CSc2nnc3ccccn23)=O)c1C)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2684 |
| logD: | 4.2684 |
| logSw: | -4.3753 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.578 |
| InChI Key: | BIUZUXIFJQFWHE-UHFFFAOYSA-N |