N-{[4-(dimethylamino)phenyl]methyl}-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0449 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | CN(C)c1ccc(CNC(C2CCC(CC2)CNC2=C(C(C2=O)=O)N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0639 |
| logD: | 3.0484 |
| logSw: | -3.1815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.635 |
| InChI Key: | OSNLGNGHLNQDEL-UHFFFAOYSA-N |