propyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
propyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D308-0019 |
| Compound Name: | propyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCCOC(c1ccc(cc1)NC(CSc1nnc2ccc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.569 |
| logD: | 4.5689 |
| logSw: | -4.8983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.279 |
| InChI Key: | OJLFDJZHGKEPLG-UHFFFAOYSA-N |