methyl 2-[2-(benzylsulfanyl)acetamido]-3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
methyl 2-[2-(benzylsulfanyl)acetamido]-3,4,5-trimethoxybenzoate
methyl 2-[2-(benzylsulfanyl)acetamido]-3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8016-5590 |
| Compound Name: | methyl 2-[2-(benzylsulfanyl)acetamido]-3,4,5-trimethoxybenzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C20 H23 N O6 S |
| Smiles: | COC(c1cc(c(c(c1NC(CSCc1ccccc1)=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2172 |
| logD: | 0.9847 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.959 |
| InChI Key: | TWBPXOPJLMKQQK-UHFFFAOYSA-N |