dimethyl 5-(2,5-dimethyl-3-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2,5-dimethyl-3-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
dimethyl 5-(2,5-dimethyl-3-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4052-3013 |
| Compound Name: | dimethyl 5-(2,5-dimethyl-3-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(c1cc(C)n(c2cc(cc(c2)C(=O)OC)C(=O)OC)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2549 |
| logD: | 5.2549 |
| logSw: | -5.3314 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.341 |
| InChI Key: | DVLKJFKJGDYGOD-UHFFFAOYSA-N |