ethyl ({2-nitro-4-[(2-phenylethyl)carbamoyl]phenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({2-nitro-4-[(2-phenylethyl)carbamoyl]phenyl}sulfanyl)acetate
ethyl ({2-nitro-4-[(2-phenylethyl)carbamoyl]phenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2155 |
| Compound Name: | ethyl ({2-nitro-4-[(2-phenylethyl)carbamoyl]phenyl}sulfanyl)acetate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2506 |
| logD: | 3.2506 |
| logSw: | -3.6724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.733 |
| InChI Key: | NOJIDGONDYSQDE-UHFFFAOYSA-N |