3,4-dimethylcyclohexyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
3,4-dimethylcyclohexyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
3,4-dimethylcyclohexyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 5540-0110 |
| Compound Name: | 3,4-dimethylcyclohexyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCC(=O)OC1CCC(C)C(C)C1)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4732 |
| logD: | 4.4732 |
| logSw: | -4.336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.762 |
| InChI Key: | HPDUZEAHPLHGLC-UHFFFAOYSA-N |