2-(methylsulfanyl)ethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
2-(methylsulfanyl)ethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0295 |
| Compound Name: | 2-(methylsulfanyl)ethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C23 H29 N O3 S |
| Smiles: | Cc1c2C(CC(Cc2[nH]c1C(=O)OCCSC)c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.371 |
| logD: | 5.371 |
| logSw: | -5.6348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.089 |
| InChI Key: | AOEAKRKMGSCYNR-MRXNPFEDSA-N |