prop-2-en-1-yl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
prop-2-en-1-yl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | D308-0211 |
| Compound Name: | prop-2-en-1-yl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-methyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C22 H21 N5 O3 S2 |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(Nc1nc(C(=O)OCC=C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5455 |
| logD: | 4.5056 |
| logSw: | -4.4322 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.872 |
| InChI Key: | BURKOBABZMNBGW-UHFFFAOYSA-N |