2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | Y500-0495 |
| Compound Name: | 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C25 H24 N4 O S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc(C#N)c(n1)SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8723 |
| logD: | 6.8723 |
| logSw: | -6.101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.443 |
| InChI Key: | FQLHKSDBAIXWFG-UHFFFAOYSA-N |