methyl 4-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F989-0497 |
| Compound Name: | methyl 4-(2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.112 |
| logD: | 4.1119 |
| logSw: | -4.2244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.103 |
| InChI Key: | HNBXBCVNJYJXKN-UHFFFAOYSA-N |