N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-1116 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | Cc1ccc(CN2CCN(CC(Nc3ccc4c(c3)OCO4)=O)C(C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0972 |
| logD: | 2.0972 |
| logSw: | -2.9599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.548 |
| InChI Key: | CCGNQECJNUUYQS-UHFFFAOYSA-N |