{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Chemical Structure Depiction of
{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile
Compound characteristics
| Compound ID: | D222-0211 |
| Compound Name: | {4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetonitrile |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C17 H19 N3 O2 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC#N)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.1798 |
| logD: | 1.1772 |
| logSw: | -2.359 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.66 |
| InChI Key: | QXWPVMFVJXLDGH-UHFFFAOYSA-N |