N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
Compound characteristics
| Compound ID: | S823-2005 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | C1CC1(C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O)c1ccccc1 |
| Stereo: | RELATIVE |
| logP: | 1.5615 |
| logD: | 1.5615 |
| logSw: | -1.7798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.989 |
| InChI Key: | RQXBFBNJNHGXCE-ZBFHGGJFSA-N |