N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-1680 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 351.51 |
| Molecular Formula: | C18 H29 N3 O2 S |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(C[C@H]2CN(C)C)C2CCOCC2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7583 |
| logD: | -0.5909 |
| logSw: | -2.4455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.908 |
| InChI Key: | YUGAPZPCYDBZNU-HOCLYGCPSA-N |