N-(3-chlorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-chlorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0620 |
| Compound Name: | N-(3-chlorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C24 H26 Cl N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cccc(c1)[Cl])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8408 |
| logD: | 3.8337 |
| logSw: | -4.2821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.192 |
| InChI Key: | YEWBXJQFEPNPFQ-UHFFFAOYSA-N |