N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-1493 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | Cc1ccccc1CN1CCN(CC(NCc2ccc3c(c2)OCO3)=O)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2361 |
| logD: | 2.2361 |
| logSw: | -2.6779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.87 |
| InChI Key: | DBBLUTSINGQWFX-UHFFFAOYSA-N |