4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]benzamide
4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | C852-0423 |
| Compound Name: | 4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]benzamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8772 |
| logD: | 3.8717 |
| logSw: | -3.9738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.95 |
| InChI Key: | YZSDLKDYSYJTFR-UHFFFAOYSA-N |