N-(3-cyanophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-cyanophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1207 |
| Compound Name: | N-(3-cyanophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3cccc(C#N)c3)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0571 |
| logD: | 3.0445 |
| logSw: | -3.3698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.124 |
| InChI Key: | CPKBPBAXABBIHV-UHFFFAOYSA-N |