1-{4-[rel-(3R,4R)-1-(furan-2-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(furan-2-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(furan-2-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0936 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(furan-2-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3925 |
| logD: | 1.3925 |
| logSw: | -1.4954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.461 |
| InChI Key: | DTDQUPABXMRSOT-HOTGVXAUSA-N |