2-methylpropyl 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
2-methylpropyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
2-methylpropyl 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: | D278-0958 |
| Compound Name: | 2-methylpropyl 4-methyl-2-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CC(C)COC(c1c(C)nc(NC(CSc2nnc3ccc4ccccc4n23)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3288 |
| logD: | 4.2889 |
| logSw: | -4.4943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.984 |
| InChI Key: | YBWDULZAGSHWBM-UHFFFAOYSA-N |