2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl naphthalene-1-carboxylate
2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9455 |
| Compound Name: | 2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl naphthalene-1-carboxylate |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C27 H16 N2 O2 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1ccccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6748 |
| logD: | 6.6748 |
| logSw: | -7.1341 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.937 |
| InChI Key: | OQEAISWFDRYFMG-CAPFRKAQSA-N |