N-[(2-chlorophenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-[(2-chlorophenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C852-0351 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C25 H26 Cl N3 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8641 |
| logD: | 3.8587 |
| logSw: | -4.2744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.272 |
| InChI Key: | DKIPYQBFGVBWLS-UHFFFAOYSA-N |