2-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
Chemical Structure Depiction of
2-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
2-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
Compound characteristics
| Compound ID: | 8015-1942 |
| Compound Name: | 2-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide |
| Molecular Weight: | 396.57 |
| Molecular Formula: | C22 H24 N2 O S2 |
| Smiles: | Cc1ccc(cc1)NC(N1CCSC1c1ccc(C#CC(C)(C)O)cc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5671 |
| logD: | 5.5671 |
| logSw: | -5.5355 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 27.1141 |
| InChI Key: | LEHMVARVLVQURD-FQEVSTJZSA-N |