ethyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
ethyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | C800-0876 |
| Compound Name: | ethyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 363.84 |
| Molecular Formula: | C18 H22 Cl N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cccn1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5265 |
| logD: | 2.5265 |
| logSw: | -3.3676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.528 |
| InChI Key: | NVEFBMMHNKXWHY-UHFFFAOYSA-N |