4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0954 |
| Compound Name: | 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | C1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2275 |
| logD: | 3.227 |
| logSw: | -3.2522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.483 |
| InChI Key: | BXJKFWNHMSJVPO-UHFFFAOYSA-N |