4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0834 |
| Compound Name: | 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | Cc1csc(NC(C2CCC(CC2)CNC2=C(C(C2=O)=O)N2CCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3011 |
| logD: | 3.2693 |
| logSw: | -3.3347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.995 |
| InChI Key: | XHMDEHMPVOSJGB-UHFFFAOYSA-N |