3,5-bis{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8006-8606 |
| Compound Name: | 3,5-bis{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C22 H18 N2 O2 S3 |
| Smiles: | Cc1ccc(cc1)C(CSc1c(C#N)c(SCC(c2ccc(C)cc2)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4829 |
| logD: | 5.4829 |
| logSw: | -5.4977 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.868 |
| InChI Key: | IZLDKTMEMDTULS-UHFFFAOYSA-N |