ethyl N-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | C700-1791 |
| Compound Name: | ethyl N-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cc(C)n(c2cccc(C)c2)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5199 |
| logD: | 2.5199 |
| logSw: | -2.7048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.122 |
| InChI Key: | XJHVMDSLYUGBKG-UHFFFAOYSA-N |