5-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
5-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl naphthalene-1-carboxylate
5-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9459 |
| Compound Name: | 5-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C28 H18 N2 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8774 |
| logD: | 6.8774 |
| logSw: | -6.7916 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.567 |
| InChI Key: | IOKXBDGWRULHKR-UHFFFAOYSA-N |