4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | M116-0878 |
| Compound Name: | 4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CSc1ccccc1NC(c1ccc(CN2CCN(C3CCCC3)C(C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0877 |
| logD: | 3.0875 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.43 |
| InChI Key: | JJXOVDYYNXAIKQ-UHFFFAOYSA-N |