ethyl N-[1-(butylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl]glycinate
Chemical Structure Depiction of
ethyl N-[1-(butylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl]glycinate
ethyl N-[1-(butylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl]glycinate
Compound characteristics
| Compound ID: | 8014-1996 |
| Compound Name: | ethyl N-[1-(butylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl]glycinate |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C23 H23 N O5 S |
| Smiles: | CCCCSc1c(ccc2C(c3ccccc3C(c12)=O)=O)C(NCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.269 |
| logD: | 5.269 |
| logSw: | -5.1835 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.024 |
| InChI Key: | SMPDGGKOGQSJOM-UHFFFAOYSA-N |