1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0721 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1588 |
| logD: | 2.1588 |
| logSw: | -2.3806 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.29 |
| InChI Key: | UWXIHMDPRTWSOX-HKUYNNGSSA-N |