rel-(2R,3S)-4-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,3S)-4-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
rel-(2R,3S)-4-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
Compound characteristics
| Compound ID: | S681-0317 |
| Compound Name: | rel-(2R,3S)-4-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CN1C(CO[C@@H](C(NCc2nc3ccccc3n2C)=O)[C@@H]1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0715 |
| logD: | 1.0701 |
| logSw: | -1.6832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.605 |
| InChI Key: | ANMRCSRQTDPTOA-WOJBJXKFSA-N |