N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S639-1483 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccncc2)C[C@H]1NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9154 |
| logD: | -1.1512 |
| logSw: | -1.6593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.971 |
| InChI Key: | FCTCVULUAOMUFE-ROUUACIJSA-N |