ethyl (4-{[(4-fluorophenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Chemical Structure Depiction of
ethyl (4-{[(4-fluorophenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
ethyl (4-{[(4-fluorophenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Compound characteristics
| Compound ID: | K781-8621 |
| Compound Name: | ethyl (4-{[(4-fluorophenyl)methyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate |
| Molecular Weight: | 424.4 |
| Molecular Formula: | C18 H17 F N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCc1ccc(cc1)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4447 |
| logD: | 2.4421 |
| logSw: | -2.8174 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.927 |
| InChI Key: | ROMFTEJHRKCUNW-UHFFFAOYSA-N |