ethyl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
Chemical Structure Depiction of
ethyl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
ethyl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate
Compound characteristics
| Compound ID: | K781-2199 |
| Compound Name: | ethyl 3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoate |
| Molecular Weight: | 311.35 |
| Molecular Formula: | C14 H17 N O5 S |
| Smiles: | CCOC(c1ccc(c(c1)[N+]([O-])=O)SCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3997 |
| logD: | 3.3997 |
| logSw: | -3.943 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.456 |
| InChI Key: | JCCSKSRGQWZBRE-LLVKDONJSA-N |