N-[rel-(3R,4S)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | S823-5667 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 330.78 |
| Molecular Formula: | C15 H20 Cl F N2 O3 |
| Smiles: | COCC(N[C@@H]1CN(Cc2ccc(c(c2)[Cl])F)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6989 |
| logD: | -0.7508 |
| logSw: | -2.5388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.138 |
| InChI Key: | TZSDNWXOICBPJN-SMDDNHRTSA-N |