methyl 2-{2-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F989-0036 |
| Compound Name: | methyl 2-{2-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c2nncn2c2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4388 |
| logD: | 2.4222 |
| logSw: | -2.9855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.011 |
| InChI Key: | NKACXWQJCOQUPG-UHFFFAOYSA-N |