4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl naphthalene-1-carboxylate
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9458 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl naphthalene-1-carboxylate |
| Molecular Weight: | 511.4 |
| Molecular Formula: | C27 H15 Br N2 O2 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1ccc(c(c1)[Br])OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2207 |
| logD: | 7.2207 |
| logSw: | -7.1906 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.937 |
| InChI Key: | SJHILWMFIQPSHI-UHFFFAOYSA-N |