1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S995-1033 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C28 H36 N2 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7995 |
| logD: | 4.7995 |
| logSw: | -4.5965 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.936 |
| InChI Key: | ZOTLCSHDAWCIMQ-BDYUSTAISA-N |