3,4-dimethylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
3,4-dimethylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
3,4-dimethylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 5540-0109 |
| Compound Name: | 3,4-dimethylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C19 H24 N2 O3 S |
| Smiles: | CC1CCC(CC1C)OC(CCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0291 |
| logD: | 4.029 |
| logSw: | -4.0756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.638 |
| InChI Key: | LCVNWZHECOZDNA-UHFFFAOYSA-N |