N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-3610 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C17 H23 N5 O S |
| Smiles: | Cc1ccsc1C(N[C@@H]1CN(C[C@H]1CN(C)C)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0252 |
| logD: | -0.2629 |
| logSw: | -2.4474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.528 |
| InChI Key: | RQLGVDSWNQGFQA-KBPBESRZSA-N |