2-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
2-({4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | J079-1047 |
| Compound Name: | 2-({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)Cc3ccccc3C#N)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9536 |
| logD: | 2.8903 |
| logSw: | -3.4205 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.975 |
| InChI Key: | LCTQCQGYPSEPAI-UHFFFAOYSA-N |