ethyl N-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
ethyl N-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | C700-1677 |
| Compound Name: | ethyl N-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cccn1Cc1c(C)cc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4993 |
| logD: | 3.4993 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.528 |
| InChI Key: | UEPXLXXOIXJNOA-UHFFFAOYSA-N |