(2S)-1-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
(2S)-1-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-1-oxopropan-2-yl acetate
(2S)-1-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-1-oxopropan-2-yl acetate
Compound characteristics
| Compound ID: | V006-7698 |
| Compound Name: | (2S)-1-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-1-oxopropan-2-yl acetate |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C29 H29 N3 O6 |
| Salt: | not_available |
| Smiles: | CC(=O)O[C@@H](C)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2026 |
| logD: | 2.2016 |
| logSw: | -2.9075 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.916 |
| InChI Key: | MQLOCGJXAJFVFG-FQEVSTJZSA-N |