1-[rel-(3R,4R)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0019 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1ccc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2185 |
| logD: | 4.2185 |
| logSw: | -4.0782 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.482 |
| InChI Key: | BIVYJEDFCRNYOQ-IFMALSPDSA-N |