ethyl ({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
ethyl ({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2461 |
| Compound Name: | ethyl ({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C14 H18 N2 O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8099 |
| logD: | 1.8099 |
| logSw: | -2.5018 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.347 |
| InChI Key: | MLRNVVJXRHLNIW-UHFFFAOYSA-N |