2-(methylsulfanyl)ethyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
2-(methylsulfanyl)ethyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0605 |
| Compound Name: | 2-(methylsulfanyl)ethyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C22 H27 N O6 S |
| Smiles: | Cc1c2C(CC(Cc2[nH]c1C(=O)OCCSC)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1153 |
| logD: | 3.1153 |
| logSw: | -3.0862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.066 |
| InChI Key: | WLJWDJWWGNFSFK-CYBMUJFWSA-N |