N-(4-methylcyclohexyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(4-methylcyclohexyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-(4-methylcyclohexyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C852-0436 |
| Compound Name: | N-(4-methylcyclohexyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CC1CCC(CC1)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCC(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2232 |
| logD: | 4.2178 |
| logSw: | -4.1341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.997 |
| InChI Key: | CBQNTOPIRAWHEJ-UHFFFAOYSA-N |