1-[4-({5-[(3-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Chemical Structure Depiction of
1-[4-({5-[(3-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
1-[4-({5-[(3-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Compound characteristics
| Compound ID: | V008-4355 |
| Compound Name: | 1-[4-({5-[(3-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C28 H33 F N2 O6 |
| Salt: | not_available |
| Smiles: | CC12CCC(C(N3CCCN(CC3)CC3=CC(C(=CO3)OCc3cccc(c3)F)=O)=O)(C2(C)C)OC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8629 |
| logD: | 2.8287 |
| logSw: | -3.2843 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.073 |
| InChI Key: | RELNYOCODUKNDV-MBMZGMDYSA-N |