4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-benzothiazol-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-benzothiazol-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-benzothiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0830 |
| Compound Name: | 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | Cc1cccc2c1nc(NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCCC1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8561 |
| logD: | 4.8552 |
| logSw: | -4.4148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.674 |
| InChI Key: | ZECJSEJYUFSKJI-UHFFFAOYSA-N |