ethyl 3-{[4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carbonyl]amino}benzoate
ethyl 3-{[4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C906-0875 |
| Compound Name: | ethyl 3-{[4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C26 H33 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3456 |
| logD: | 4.3452 |
| logSw: | -4.1795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.896 |
| InChI Key: | RSESPOTUGYCHEZ-UHFFFAOYSA-N |