N-[rel-(3R,4S)-4-(hydroxymethyl)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-5118 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc(c(Cn3ccnc3)c2)OC)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1046 |
| logD: | -2.169 |
| logSw: | -1.5456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.007 |
| InChI Key: | JAJXAVDZEHNSEW-MSOLQXFVSA-N |