5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
Chemical Structure Depiction of
5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
Compound characteristics
| Compound ID: | Y207-5502 |
| Compound Name: | 5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C16 H21 N O5 S |
| Smiles: | CC1Cc2c(C(C1C(=O)OC)=O)c(C)c(C(=O)OCCSC)[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8035 |
| logD: | 1.8004 |
| logSw: | -2.2084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.433 |
| InChI Key: | BVJMCVUCSGLWDW-UHFFFAOYSA-N |