N-(4-methoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-(4-methoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0473 |
| Compound Name: | N-(4-methoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8764 |
| logD: | 3.8759 |
| logSw: | -4.0359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.686 |
| InChI Key: | MXIMTZAQJPWUJG-UHFFFAOYSA-N |