N-(4-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-(4-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C852-0326 |
| Compound Name: | N-(4-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9583 |
| logD: | 2.9479 |
| logSw: | -3.3903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.777 |
| InChI Key: | PBPYAUDQOGAMJH-UHFFFAOYSA-N |