3,5-bis{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4085-0011 |
| Compound Name: | 3,5-bis{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 568.33 |
| Molecular Formula: | C20 H12 Br2 N2 O2 S3 |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1c(C#N)c(SCC(c2ccc(cc2)[Br])=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.3039 |
| logD: | 6.3039 |
| logSw: | -6.0267 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.868 |
| InChI Key: | GADCHCRRULADMF-UHFFFAOYSA-N |