ethyl [(4-{[(2-methoxyphenyl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-{[(2-methoxyphenyl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
ethyl [(4-{[(2-methoxyphenyl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2474 |
| Compound Name: | ethyl [(4-{[(2-methoxyphenyl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5383 |
| logD: | 3.5381 |
| logSw: | -3.8923 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.521 |
| InChI Key: | NKZLXUMLZAUQAS-UHFFFAOYSA-N |