ethyl 4-({2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl}amino)benzoate
ethyl 4-({2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8015-4390 |
| Compound Name: | ethyl 4-({2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl}amino)benzoate |
| Molecular Weight: | 460.64 |
| Molecular Formula: | C22 H24 N2 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCSC1c1ccc(C#CC(C)(C)O)s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6925 |
| logD: | 5.6925 |
| logSw: | -5.3052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.886 |
| InChI Key: | NASNFHVQDRJWNB-IBGZPJMESA-N |