N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-5-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-5-methylthiophene-2-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-9225 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 357.52 |
| Molecular Formula: | C20 H27 N3 O S |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CN(C)C)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9765 |
| logD: | 0.9099 |
| logSw: | -3.3188 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.446 |
| InChI Key: | WQDFOKRNNUSHAS-ROUUACIJSA-N |