2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
Compound ID: | 6743-0010 |
Compound Name: | 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile |
Molecular Weight: | 592.55 |
Molecular Formula: | C27 H18 Br N3 O2 S3 |
Smiles: | C(CS(c1nc2ccccc2s1)(=O)=O)Sc1c(C#N)c(cc(c2ccc(cc2)[Br])n1)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 7.9002 |
logD: | 7.9002 |
logSw: | -6.413 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.759 |
InChI Key: | LNYVGCQEQWBNGY-UHFFFAOYSA-N |