2-(methylsulfanyl)ethyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
2-(methylsulfanyl)ethyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0847 |
| Compound Name: | 2-(methylsulfanyl)ethyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(c2c(C)c(C(=O)OCCSC)[nH]c2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9455 |
| logD: | 3.9455 |
| logSw: | -4.178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.212 |
| InChI Key: | DYHOOFSECQLLDA-OAHLLOKOSA-N |