ethyl ({2-nitro-4-[(prop-2-en-1-yl)carbamoyl]phenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({2-nitro-4-[(prop-2-en-1-yl)carbamoyl]phenyl}sulfanyl)acetate
ethyl ({2-nitro-4-[(prop-2-en-1-yl)carbamoyl]phenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2466 |
| Compound Name: | ethyl ({2-nitro-4-[(prop-2-en-1-yl)carbamoyl]phenyl}sulfanyl)acetate |
| Molecular Weight: | 324.35 |
| Molecular Formula: | C14 H16 N2 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1467 |
| logD: | 2.1467 |
| logSw: | -2.7027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.004 |
| InChI Key: | NPXUJXMNRVGCNR-UHFFFAOYSA-N |