3-{[({1-[5-(4-fluorophenyl)-1-(3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzonitrile
Chemical Structure Depiction of
3-{[({1-[5-(4-fluorophenyl)-1-(3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzonitrile
3-{[({1-[5-(4-fluorophenyl)-1-(3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | V011-1162 |
| Compound Name: | 3-{[({1-[5-(4-fluorophenyl)-1-(3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}amino)oxy]methyl}benzonitrile |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C28 H24 F N3 O2 |
| Smiles: | C/C(c1cc(c2ccc(cc2)F)n(c2cccc(c2)OC)c1C)=N/OCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7259 |
| logD: | 6.7259 |
| logSw: | -5.9892 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.189 |
| InChI Key: | HOWPQMCRZLSWSK-UHFFFAOYSA-N |