N-(4-bromo-3-methylphenyl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
N-(4-bromo-3-methylphenyl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E983-1421 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea |
| Molecular Weight: | 442.35 |
| Molecular Formula: | C22 H24 Br N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(NCc1cc(C)n(c2ccc(cc2)OC)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0867 |
| logD: | 5.0867 |
| logSw: | -4.9505 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.072 |
| InChI Key: | PXTYZGSOLGMYIZ-UHFFFAOYSA-N |