methyl 2-{[({1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[({1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzoate
methyl 2-{[({1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | V003-5823 |
| Compound Name: | methyl 2-{[({1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzoate |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C29 H27 F N2 O3 |
| Smiles: | C/C(c1cc(c2ccc(cc2)F)n(c2cccc(C)c2)c1C)=N/OCc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.4117 |
| logD: | 7.4117 |
| logSw: | -5.7522 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.763 |
| InChI Key: | DCJJSJKHVZTULZ-UHFFFAOYSA-N |