N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0800 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C24 H25 Cl F N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccc(c(c1)[Cl])F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.2631 |
| logD: | 4.1885 |
| logSw: | -4.5892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.068 |
| InChI Key: | KKYJSRKTUREAOF-UHFFFAOYSA-N |