N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S823-1577 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | Cc1c(cccc1OC)C(N[C@@H]1CN(C[C@H]1CO)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3407 |
| logD: | -1.2694 |
| logSw: | -2.036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.748 |
| InChI Key: | YZJPOKHZPYEOCB-PBHICJAKSA-N |