ethyl N-({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | C700-1771 |
| Compound Name: | ethyl N-({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 361.41 |
| Molecular Formula: | C19 H24 F N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cc(C)n(c2ccc(cc2)F)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0813 |
| logD: | 2.0813 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.122 |
| InChI Key: | IQWGNKMHYCYVLT-UHFFFAOYSA-N |