4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide
Compound characteristics
Compound ID: | C804-0687 |
Compound Name: | 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide |
Molecular Weight: | 417.51 |
Molecular Formula: | C25 H27 N3 O3 |
Smiles: | Cc1ccc(CNC(c2ccc(CNC3=C(C(C3=O)=O)N3CCCCC3)cc2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.1751 |
logD: | 3.1697 |
logSw: | -3.352 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.272 |
InChI Key: | SMBURPHGHWAAKO-UHFFFAOYSA-N |