4-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
4-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0195 |
| Compound Name: | 4-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccccc3)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5042 |
| logD: | 2.5029 |
| logSw: | -3.1459 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.834 |
| InChI Key: | KLTOJBMAZYCFDV-UHFFFAOYSA-N |