methyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D308-0100 |
| Compound Name: | methyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)sc(NC(CSc2nnc3ccc4ccccc4n23)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1556 |
| logD: | 3.1158 |
| logSw: | -3.4439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.028 |
| InChI Key: | OYKALKXRJFWRMG-UHFFFAOYSA-N |