N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl}benzamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | S823-7674 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | COc1cccc(CCC(N2C[C@H]([C@@H](C2)CO)NC(c2ccccc2)=O)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 1.8704 |
| logD: | 1.8704 |
| logSw: | -2.3797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.588 |
| InChI Key: | NPMDFXYDUASUSS-QUCCMNQESA-N |