N-(4-methylpiperazin-1-yl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(4-methylpiperazin-1-yl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-(4-methylpiperazin-1-yl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | K906-2508 |
| Compound Name: | N-(4-methylpiperazin-1-yl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(NN1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9784 |
| logD: | -0.1331 |
| logSw: | -2.0136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.388 |
| InChI Key: | ZUPYMSLNUOELIZ-UHFFFAOYSA-N |