rel-(3R,4S)-4-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one
Chemical Structure Depiction of
rel-(3R,4S)-4-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one
rel-(3R,4S)-4-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one
Compound characteristics
| Compound ID: | S743-0087 |
| Compound Name: | rel-(3R,4S)-4-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CC(C)N1C([C@@H]([C@@H]1C1CCN(CC1)C(c1ccc(cc1)n1c(C)ccc1C)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4887 |
| logD: | 2.4887 |
| logSw: | -2.5028 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.727 |
| InChI Key: | JRHGUQPIJITJPS-XZOQPEGZSA-N |