5-[(3-fluorophenyl)methoxy]-2-{[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-fluorophenyl)methoxy]-2-{[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(3-fluorophenyl)methoxy]-2-{[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V001-9780 |
| Compound Name: | 5-[(3-fluorophenyl)methoxy]-2-{[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C27 H29 F N2 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(CCc1ccccc1)=O)CC1=CC(C(=CO1)OCc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.421 |
| logD: | 3.3993 |
| logSw: | -3.7295 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.143 |
| InChI Key: | VGJUTNNHDUZKMM-UHFFFAOYSA-N |