N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxybenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | S823-2472 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methoxybenzamide |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C18 H26 N2 O4 |
| Smiles: | COc1cccc(c1)C(N[C@@H]1CN(C[C@H]1CO)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7389 |
| logD: | -1.8712 |
| logSw: | -1.9301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.661 |
| InChI Key: | JNIZJMXTKGQKFO-PBHICJAKSA-N |