N-(2H-1,3-benzodioxol-5-yl)-2-(1-{[4-(3-chlorophenyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(1-{[4-(3-chlorophenyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(1-{[4-(3-chlorophenyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-8249 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(1-{[4-(3-chlorophenyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetamide |
| Molecular Weight: | 513.98 |
| Molecular Formula: | C25 H28 Cl N5 O5 |
| Smiles: | C(C1C(NCCN1C(CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6052 |
| logD: | 1.604 |
| logSw: | -2.6767 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.167 |
| InChI Key: | XACYBTVTKLNVFN-FQEVSTJZSA-N |