N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | S963-2549 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | Cc1ncc(cn1)C(N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2177 |
| logD: | -0.9698 |
| logSw: | -1.9709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.603 |
| InChI Key: | RVMJSGMUXDOFSG-IRXDYDNUSA-N |