4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | C906-0889 |
Compound Name: | 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide |
Molecular Weight: | 423.56 |
Molecular Formula: | C25 H33 N3 O3 |
Smiles: | Cc1ccc(CNC(C2CCC(CC2)CNC2=C(C(C2=O)=O)N2CCCCC2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6759 |
logD: | 3.6754 |
logSw: | -3.6062 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.464 |
InChI Key: | GJHBFFLGPYAZFD-UHFFFAOYSA-N |