ethyl 1-{2-[(4-chloro-1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(4-chloro-1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-{2-[(4-chloro-1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2849 |
| Compound Name: | ethyl 1-{2-[(4-chloro-1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 456.92 |
| Molecular Formula: | C20 H22 Cl F N2 O5 S |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(NC2CS(CC2[Cl])(=O)=O)=O)c1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6109 |
| logD: | 2.6109 |
| logSw: | -3.2343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.696 |
| InChI Key: | YQFGVGHOOLGCAV-UHFFFAOYSA-N |