N-[(2-chlorophenyl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-[(2-chlorophenyl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0934 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(NCc1ccccc1[Cl])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8927 |
| logD: | 3.8315 |
| logSw: | -4.2853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.39 |
| InChI Key: | ASKGNGXGBVALLC-UHFFFAOYSA-N |