(4-{(2S,4R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-hydroxypyrrolidin-1-yl}piperidin-1-yl)(3-methoxyphenyl)methanone
Chemical Structure Depiction of
(4-{(2S,4R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-hydroxypyrrolidin-1-yl}piperidin-1-yl)(3-methoxyphenyl)methanone
(4-{(2S,4R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-hydroxypyrrolidin-1-yl}piperidin-1-yl)(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | S596-1012 |
| Compound Name: | (4-{(2S,4R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-hydroxypyrrolidin-1-yl}piperidin-1-yl)(3-methoxyphenyl)methanone |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C28 H35 F N4 O4 |
| Smiles: | COc1cccc(c1)C(N1CCC(CC1)N1C[C@@H](C[C@H]1C(N1CCN(CC1)c1ccccc1F)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5044 |
| logD: | 2.4284 |
| logSw: | -2.7116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.847 |
| InChI Key: | MFEJTNUKQQSYDM-NVQXNPDNSA-N |