N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-0553 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C17 H23 N5 O S |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(C[C@H]2CN(C)C)c2ccncn2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1221 |
| logD: | -0.0166 |
| logSw: | -2.5441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.82 |
| InChI Key: | HHVDZZFVBWXEKA-KBPBESRZSA-N |