N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-methyl-1H-indazole-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-methyl-1H-indazole-3-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-methyl-1H-indazole-3-carboxamide
Compound characteristics
| Compound ID: | S639-9238 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-methyl-1H-indazole-3-carboxamide |
| Molecular Weight: | 391.52 |
| Molecular Formula: | C23 H29 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(c1c2ccccc2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9083 |
| logD: | -0.1583 |
| logSw: | -2.4209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.964 |
| InChI Key: | QMMVKNNAUUFBLK-ICSRJNTNSA-N |