ethyl [(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
ethyl [(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2468 |
| Compound Name: | ethyl [(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C21 H24 N2 O7 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7676 |
| logD: | 2.7676 |
| logSw: | -3.3193 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.993 |
| InChI Key: | JQAYYJYZHPJIEF-UHFFFAOYSA-N |