N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D345-0877 |
| Compound Name: | N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 425.91 |
| Molecular Formula: | C23 H24 Cl N3 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)[Cl])N1CCN(C)CC1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6919 |
| logD: | 2.3187 |
| logSw: | -3.8119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.039 |
| InChI Key: | SBVVIQYBLAYIRI-FQEVSTJZSA-N |