4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]cyclohexane-1-carboxamide
4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0547 |
| Compound Name: | 4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[3-(methylsulfanyl)phenyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3549 |
| logD: | 4.3545 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.142 |
| InChI Key: | CITLFELOVHDBQK-UHFFFAOYSA-N |