[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S831-2462 |
| Compound Name: | [rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | Cc1cc(C(N2C[C@@H](CO)[C@@H](C2)c2ccccn2)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8303 |
| logD: | 0.8302 |
| logSw: | -2.2136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.525 |
| InChI Key: | JJRCFAOMTDIETQ-AEFFLSMTSA-N |