ethyl 2-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F989-0501 |
| Compound Name: | ethyl 2-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2nnc(C(C)C)n2c2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2895 |
| logD: | 4.273 |
| logSw: | -4.1707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.985 |
| InChI Key: | PGXILXVMCYVGMT-UHFFFAOYSA-N |