methyl 3-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F989-0580 |
| Compound Name: | methyl 3-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4397 |
| logD: | 3.4051 |
| logSw: | -3.7382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.424 |
| InChI Key: | KHIMPOVGOCRCIY-UHFFFAOYSA-N |