N-(2-chloro-4-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(2-chloro-4-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0813 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccc(C)cc1[Cl])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.2568 |
| logD: | 4.1952 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | XMOARKHDPGDBGJ-UHFFFAOYSA-N |