ethyl N-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E983-1928 |
| Compound Name: | ethyl N-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C20 H27 N3 O4 |
| Smiles: | CCOC(CCNC(NCc1cc(C)n(c2ccccc2OC)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.829 |
| logD: | 1.829 |
| logSw: | -2.1428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.452 |
| InChI Key: | JTMHZIZSLGPMBC-UHFFFAOYSA-N |