2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0257 |
| Compound Name: | 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile |
| Molecular Weight: | 543.68 |
| Molecular Formula: | C28 H21 N3 O3 S3 |
| Smiles: | COc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(n1)SCCS(c1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0487 |
| logD: | 7.0487 |
| logSw: | -5.9457 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.303 |
| InChI Key: | GZHKJMLSUFQDOG-UHFFFAOYSA-N |