N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-4990 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5676 |
| logD: | 5.5675 |
| logSw: | -5.6467 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.332 |
| InChI Key: | GAVZVPOWRHCKDT-UHFFFAOYSA-N |