N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-1654 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]thiophene-2-carboxamide |
| Molecular Weight: | 337.48 |
| Molecular Formula: | C17 H27 N3 O2 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccs1)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0773 |
| logD: | -1.272 |
| logSw: | -2.1676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.908 |
| InChI Key: | FTKRYIYYZYWHQG-ZFWWWQNUSA-N |