4-tert-butylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
4-tert-butylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
4-tert-butylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 3856-0123 |
| Compound Name: | 4-tert-butylcyclohexyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CC(C)(C)C1CCC(CC1)OC(CCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6049 |
| logD: | 5.6048 |
| logSw: | -5.3785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.638 |
| InChI Key: | AXRGCFGEBBFZFY-UHFFFAOYSA-N |