N-benzyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0408 |
| Compound Name: | N-benzyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9739 |
| logD: | 2.9735 |
| logSw: | -3.1765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.83 |
| InChI Key: | ZMPIICNOGFUSKF-UHFFFAOYSA-N |