2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J079-0855 |
| Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cccc(C)c1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8929 |
| logD: | 3.8316 |
| logSw: | -3.8634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.068 |
| InChI Key: | IWYAVHZTEBKHJU-UHFFFAOYSA-N |