ethyl [4-(benzylcarbamoyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(benzylcarbamoyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(benzylcarbamoyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-8618 |
| Compound Name: | ethyl [4-(benzylcarbamoyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4156 |
| logD: | 2.4146 |
| logSw: | -2.8164 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.927 |
| InChI Key: | JHUAGUVYZAYZGO-UHFFFAOYSA-N |