2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 6743-0013 |
| Compound Name: | 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile |
| Molecular Weight: | 537.67 |
| Molecular Formula: | C25 H16 F N3 O2 S4 |
| Smiles: | C(CS(c1nc2ccccc2s1)(=O)=O)Sc1c(C#N)c(cc(c2cccs2)n1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.8445 |
| logD: | 6.8445 |
| logSw: | -6.3555 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.777 |
| InChI Key: | WTGCCDCAZSZRBZ-UHFFFAOYSA-N |