N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-0091 |
| Compound Name: | N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCC(N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3472 |
| logD: | 3.3471 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.633 |
| InChI Key: | BAUBSKJEPIBRFO-UHFFFAOYSA-N |