N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C852-0412 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(NCCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.439 |
| logD: | 3.4336 |
| logSw: | -3.5737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.114 |
| InChI Key: | CHSAGELUNOYFQT-UHFFFAOYSA-N |