N-(3,4-dimethylphenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3,4-dimethylphenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0601 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccc(C)c(C)c1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0747 |
| logD: | 4.0678 |
| logSw: | -4.1224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.192 |
| InChI Key: | SYBNDMKKJHHBSX-UHFFFAOYSA-N |