ethyl N-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | C700-1901 |
| Compound Name: | ethyl N-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 377.87 |
| Molecular Formula: | C19 H24 Cl N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cc(C)n(c2cccc(c2)[Cl])c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.661 |
| logD: | 2.661 |
| logSw: | -3.5031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.122 |
| InChI Key: | ASNGNHFJFAAGMN-UHFFFAOYSA-N |