ethyl 3-anilino-3-(methylsulfanyl)-2-nitroprop-2-enoate
Chemical Structure Depiction of
ethyl 3-anilino-3-(methylsulfanyl)-2-nitroprop-2-enoate
ethyl 3-anilino-3-(methylsulfanyl)-2-nitroprop-2-enoate
Compound characteristics
| Compound ID: | 8009-7890 |
| Compound Name: | ethyl 3-anilino-3-(methylsulfanyl)-2-nitroprop-2-enoate |
| Molecular Weight: | 282.32 |
| Molecular Formula: | C12 H14 N2 O4 S |
| Smiles: | CCOC(/C(=C(/Nc1ccccc1)SC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0031 |
| logD: | 1.4426 |
| logSw: | -3.4536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.514 |
| InChI Key: | OTBRPYKHBLHKOX-UHFFFAOYSA-N |