ethyl N-{4-[(2S,4S)-2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{4-[(2S,4S)-2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}-beta-alaninate
ethyl N-{4-[(2S,4S)-2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | S720-2545 |
| Compound Name: | ethyl N-{4-[(2S,4S)-2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}-beta-alaninate |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C23 H34 N4 O5 |
| Smiles: | CCOC(CCNC(N1CCC(CC1)N1C[C@H](C[C@H]1C(NC)=O)Oc1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6156 |
| logD: | 1.6055 |
| logSw: | -2.0311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.485 |
| InChI Key: | WPWIHZQBMDJBAE-UXHICEINSA-N |