4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0394 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 465.47 |
| Molecular Formula: | C23 H26 F3 N3 O4 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4763 |
| logD: | 4.4759 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.445 |
| InChI Key: | FKXIZLXXTUCYAB-UHFFFAOYSA-N |