ethyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
ethyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
ethyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D308-0428 |
| Compound Name: | ethyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | CCOC(c1ccc(CSc2nnc3cc(C)c4ccccc4n23)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8902 |
| logD: | 4.8902 |
| logSw: | -4.7677 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.836 |
| InChI Key: | DLBAOQMMLLTQTN-UHFFFAOYSA-N |