3-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
3-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | J079-1048 |
| Compound Name: | 3-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)Cc3cccc(C#N)c3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7088 |
| logD: | 2.6787 |
| logSw: | -3.1126 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.975 |
| InChI Key: | IDIYRJXTCMCSCK-UHFFFAOYSA-N |