ethyl (4-{[(4-methoxyphenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Chemical Structure Depiction of
ethyl (4-{[(4-methoxyphenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
ethyl (4-{[(4-methoxyphenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Compound characteristics
| Compound ID: | K781-8623 |
| Compound Name: | ethyl (4-{[(4-methoxyphenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C19 H20 N2 O8 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.398 |
| logD: | 2.3979 |
| logSw: | -2.7952 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.471 |
| InChI Key: | AWHSUZRBYSCCRI-UHFFFAOYSA-N |