4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | C852-0572 |
| Compound Name: | 4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(4-ethoxyphenyl)benzamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(CNC2=C(C(C2=O)=O)NC2CCCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7942 |
| logD: | 3.786 |
| logSw: | -3.9145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.862 |
| InChI Key: | AOYDKTYYXQGYAS-UHFFFAOYSA-N |