{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Chemical Structure Depiction of
{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Compound characteristics
| Compound ID: | D222-0220 |
| Compound Name: | {4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C18 H21 N3 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)CC#N)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.0709 |
| logD: | 1.0694 |
| logSw: | -2.5333 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.784 |
| InChI Key: | DIBVDMNGVYXRJK-UHFFFAOYSA-N |