1-{(2S)-1-[(4-bromo-2-chlorophenyl)carbamoyl]pyrrolidine-2-carbonyl}-N-(4-methoxyphenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-{(2S)-1-[(4-bromo-2-chlorophenyl)carbamoyl]pyrrolidine-2-carbonyl}-N-(4-methoxyphenyl)piperidine-4-carboxamide
1-{(2S)-1-[(4-bromo-2-chlorophenyl)carbamoyl]pyrrolidine-2-carbonyl}-N-(4-methoxyphenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V010-3499 |
| Compound Name: | 1-{(2S)-1-[(4-bromo-2-chlorophenyl)carbamoyl]pyrrolidine-2-carbonyl}-N-(4-methoxyphenyl)piperidine-4-carboxamide |
| Molecular Weight: | 563.88 |
| Molecular Formula: | C25 H28 Br Cl N4 O4 |
| Smiles: | COc1ccc(cc1)NC(C1CCN(CC1)C([C@@H]1CCCN1C(Nc1ccc(cc1[Cl])[Br])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8567 |
| logD: | 3.8565 |
| logSw: | -4.1824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.353 |
| InChI Key: | BUJNUNMTAGKYTR-QFIPXVFZSA-N |