N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S823-1275 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | C(c1ccccn1)N1C[C@H]([C@@H](C1)CO)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6852 |
| logD: | -0.0368 |
| logSw: | -1.9565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.314 |
| InChI Key: | NZJIGLDTRSQOJD-ZBFHGGJFSA-N |