N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-0233 |
| Compound Name: | N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 403.56 |
| Molecular Formula: | C20 H25 N3 O2 S2 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2869 |
| logD: | 4.2869 |
| logSw: | -4.1259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.09 |
| InChI Key: | HRJOSHDVOKWJBW-UHFFFAOYSA-N |