methyl 3-(2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F989-0913 |
| Compound Name: | methyl 3-(2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C24 H19 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7028 |
| logD: | 4.6681 |
| logSw: | -4.4195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.152 |
| InChI Key: | NDOYRWNXLZPARW-UHFFFAOYSA-N |