N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0597 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C24 H25 Cl F N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccc(c(c1)[Cl])F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8174 |
| logD: | 3.7971 |
| logSw: | -4.3624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.192 |
| InChI Key: | BBDAHOANYVIPKL-UHFFFAOYSA-N |