methyl 3-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F989-0232 |
| Compound Name: | methyl 3-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | Cc1nnc2c(nc3ccccc3n12)SCC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.243 |
| logD: | 2.2084 |
| logSw: | -2.6219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.201 |
| InChI Key: | LIPCQEZNEJNVHI-UHFFFAOYSA-N |