N-[(4-methylphenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-[(4-methylphenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C852-0381 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5055 |
| logD: | 3.5001 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.272 |
| InChI Key: | LHHWRDSMKFERCV-UHFFFAOYSA-N |