2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-cycloheptylacetamide
Chemical Structure Depiction of
2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-cycloheptylacetamide
2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-cycloheptylacetamide
Compound characteristics
| Compound ID: | IB06-3408 |
| Compound Name: | 2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-cycloheptylacetamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C26 H35 N3 O4 |
| Smiles: | C1CCCC(CC1)NC(COC1=COC(CN2CCN(CC2)Cc2ccccc2)=CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 2.49 |
| logSw: | -3.6 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.8 |
| InChI Key: | WWTUCFDVORZMSC-UHFFFAOYSA-N |