ethyl 1-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
ethyl 1-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3198 |
| Compound Name: | ethyl 1-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C25 H27 F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(C)cc2)n(CCCC(Nc2ccc(cc2C)F)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8834 |
| logD: | 4.8802 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.633 |
| InChI Key: | MHAGIIFYZAZFKT-UHFFFAOYSA-N |