ethyl 5-{[(7-methoxy-4-methylquinolin-2-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[(7-methoxy-4-methylquinolin-2-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{[(7-methoxy-4-methylquinolin-2-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | 4112-0061 |
Compound Name: | ethyl 5-{[(7-methoxy-4-methylquinolin-2-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 412.51 |
Molecular Formula: | C22 H24 N2 O4 S |
Smiles: | CCOC(c1c(C)c(C(CSc2cc(C)c3ccc(cc3n2)OC)=O)[nH]c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.9298 |
logD: | 4.9298 |
logSw: | -4.927 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.185 |
InChI Key: | BWXPJNOKMARMAT-UHFFFAOYSA-N |