ethyl 1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2826 |
| Compound Name: | ethyl 1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C24 H29 F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(NCCC2CCCCC=2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8239 |
| logD: | 4.8239 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.177 |
| InChI Key: | PEFJVGSDVGDRDG-UHFFFAOYSA-N |