N-(2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-1369 |
| Compound Name: | N-(2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 431.62 |
| Molecular Formula: | C22 H29 N3 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CSc1nc2ccc(cc2s1)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8363 |
| logD: | 4.8362 |
| logSw: | -4.4948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.724 |
| InChI Key: | XWKVLJDREKWCKO-UHFFFAOYSA-N |