N-[rel-(3R,4R)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
N-[rel-(3R,4R)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S617-0600 |
| Compound Name: | N-[rel-(3R,4R)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | Cc1c(cc(c2ccccc2)n1C)C(N1CC[C@H](CO)[C@@H](C1)NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7656 |
| logD: | 2.7656 |
| logSw: | -3.429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.033 |
| InChI Key: | HKSLLVGSLAROBH-GMAHTHKFSA-N |