ethyl (2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | D278-0739 |
| Compound Name: | ethyl (2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CCOC(Cc1csc(NC(CSc2nnc3cc(C)c4cccc(C)c4n23)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2336 |
| logD: | 4.2318 |
| logSw: | -4.2916 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.708 |
| InChI Key: | KBPLZZCMCGFCNN-UHFFFAOYSA-N |