benzyl 2-[(4-bromo-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
Chemical Structure Depiction of
benzyl 2-[(4-bromo-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
benzyl 2-[(4-bromo-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
Compound characteristics
| Compound ID: | K953-0466 |
| Compound Name: | benzyl 2-[(4-bromo-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | [H]N(C(C1CCCN1C(=O)OCc1ccccc1)=O)c1ccc(cc1C)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4478 |
| logD: | 4.4472 |
| logSw: | -4.4022 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.768 |
| InChI Key: | LFPMNWOKCXVYQU-SFHVURJKSA-N |