2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F512-1112 |
| Compound Name: | 2-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(CN2CCN(CC(Nc3cccc(c3)SC)=O)C(C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7251 |
| logD: | 2.7251 |
| logSw: | -3.0883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | ZXGBLQHVQSFTGZ-UHFFFAOYSA-N |