4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | G856-8990 |
| Compound Name: | 4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCOc1ccc2c(c1)sc(n2)N1CCN(CC1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7228 |
| logD: | 3.7226 |
| logSw: | -3.9535 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.862 |
| InChI Key: | BXYLZWXFXQYKGM-UHFFFAOYSA-N |