ethyl 1-(3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-(3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3162 |
| Compound Name: | ethyl 1-(3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C29 H35 F N2 O5 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CCC(NCCc2ccc(c(c2)OCC)OCC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4899 |
| logD: | 4.4899 |
| logSw: | -4.1776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.383 |
| InChI Key: | LSKOCCRQWFUBFX-UHFFFAOYSA-N |