ethyl ({4-[(2-methylpropyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[(2-methylpropyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
ethyl ({4-[(2-methylpropyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2469 |
| Compound Name: | ethyl ({4-[(2-methylpropyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C15 H20 N2 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9023 |
| logD: | 2.9023 |
| logSw: | -3.5872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.163 |
| InChI Key: | CBOIPTQOMHFYCC-UHFFFAOYSA-N |