N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-0540 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-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)c1ccncn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8521 |
| logD: | -0.2866 |
| logSw: | -2.1296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.82 |
| InChI Key: | FJTBQORQAQOSRR-KBPBESRZSA-N |