ethyl [(2-nitro-4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(2-nitro-4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
ethyl [(2-nitro-4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2462 |
| Compound Name: | ethyl [(2-nitro-4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C16 H20 N2 O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8676 |
| logD: | 1.8676 |
| logSw: | -2.5094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.545 |
| InChI Key: | XQNGQQKOFMJYHQ-GFCCVEGCSA-N |