N-(3-cyanophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-cyanophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0945 |
| Compound Name: | N-(3-cyanophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cccc(C#N)c1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.3939 |
| logD: | 3.3325 |
| logSw: | -3.7475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.124 |
| InChI Key: | GMQSDURBZYDODA-UHFFFAOYSA-N |