N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0544 |
| Compound Name: | N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C26 H33 N3 O4 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(Nc1cccc(c1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6349 |
| logD: | 3.6341 |
| logSw: | -3.7491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.969 |
| InChI Key: | DYDACOOMJCMUBR-UHFFFAOYSA-N |