rel-(2R,3S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,3S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
rel-(2R,3S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
Compound characteristics
| Compound ID: | S681-0359 |
| Compound Name: | rel-(2R,3S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | CN1C(CO[C@@H](C(NCCCN2CCN(CC2)Cc2ccccc2)=O)[C@@H]1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0588 |
| logD: | 0.2392 |
| logSw: | -1.7945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.983 |
| InChI Key: | KZSWKJPZASEXOB-JWQCQUIFSA-N |