methyl 3-[({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)methyl]benzoate
methyl 3-[({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)methyl]benzoate
Compound characteristics
| Compound ID: | IB08-9092 |
| Compound Name: | methyl 3-[({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)methyl]benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C25 H26 N2 O5 |
| Smiles: | COC(c1cccc(COC2=COC(CN3CCN(CC3)c3ccccc3)=CC2=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.27 |
| logD: | 3.26 |
| logSw: | -3.99 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 97.05 |
| InChI Key: | YNKRMWVFBXUGQT-UHFFFAOYSA-N |