methyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
methyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 4052-2704 |
| Compound Name: | methyl 4-(2,5-dimethyl-3-{[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1cc(C(CSc2nnc3ccccn23)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2295 |
| logD: | 3.2295 |
| logSw: | -3.4206 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.245 |
| InChI Key: | QTKBEULJRRIICP-UHFFFAOYSA-N |