ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D278-0972 |
| Compound Name: | ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc3cc(C)c4cccc(C)c4n23)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5479 |
| logD: | 4.508 |
| logSw: | -4.3538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.384 |
| InChI Key: | JNCJLMWLBFZOKO-UHFFFAOYSA-N |