4-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
4-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | J079-0830 |
| Compound Name: | 4-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)benzonitrile |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C24 H25 N3 O2 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1ccc(C#N)cc1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.1255 |
| logD: | 2.9731 |
| logSw: | -3.3371 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.975 |
| InChI Key: | BABNCYKEYUVXCG-UHFFFAOYSA-N |