ethyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D278-1273 |
| Compound Name: | ethyl 4-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2ccc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0572 |
| logD: | 4.0571 |
| logSw: | -4.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.985 |
| InChI Key: | CFHDBIVQSOMNJM-UHFFFAOYSA-N |