N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | S963-2516 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | CNC([C@H]1CN(Cc2ccccc2)C[C@@H]1NC(c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.739 |
| logD: | -2.1007 |
| logSw: | -1.822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.811 |
| InChI Key: | ITZFJYXOQSNVAH-GJZGRUSLSA-N |