1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0359 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(methanesulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C21 H32 N2 O4 S |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.959 |
| logD: | 2.959 |
| logSw: | -3.2674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.822 |
| InChI Key: | HBBNPOGYSDDICD-ICSRJNTNSA-N |