(4-tert-butylphenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
(4-tert-butylphenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | S831-2106 |
| Compound Name: | (4-tert-butylphenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C21 H26 N2 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1C[C@@H](CO)[C@@H](C1)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9926 |
| logD: | 2.9925 |
| logSw: | -3.0577 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.011 |
| InChI Key: | JBWSIFKWFUSCMV-FUHWJXTLSA-N |