N-(2,5-difluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(2,5-difluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0947 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C24 H25 F2 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cc(ccc1F)F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.7002 |
| logD: | 3.6226 |
| logSw: | -3.9201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | HZVUNGJKWPBVCE-UHFFFAOYSA-N |