{4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Chemical Structure Depiction of
{4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
{4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Compound characteristics
| Compound ID: | D222-0214 |
| Compound Name: | {4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)CC#N)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 0.6834 |
| logD: | 0.682 |
| logSw: | -2.2323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.204 |
| InChI Key: | SNSLWYYRWSYDQI-UHFFFAOYSA-N |