2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F512-1529 |
| Compound Name: | 2-{4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccccc1CN1CCN(CC(Nc2cccc(c2)SC)=O)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2062 |
| logD: | 3.2062 |
| logSw: | -3.2367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | LSWMLGRIHJJYBS-UHFFFAOYSA-N |