ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate
ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-3861 |
| Compound Name: | ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C13 H15 N O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3013 |
| logD: | 3.3013 |
| logSw: | -3.7683 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.231 |
| InChI Key: | OGTOSVMZTSJOTM-UHFFFAOYSA-N |