ethyl {2-nitro-4-[(1-phenylbutan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {2-nitro-4-[(1-phenylbutan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
ethyl {2-nitro-4-[(1-phenylbutan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-8625 |
| Compound Name: | ethyl {2-nitro-4-[(1-phenylbutan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C21 H24 N2 O7 S |
| Smiles: | CCC(Cc1ccccc1)NC(c1ccc(c(c1)[N+]([O-])=O)S(CC(=O)OCC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9628 |
| logD: | 3.9628 |
| logSw: | -4.1829 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.836 |
| InChI Key: | RUXAORJGGZTLJA-KRWDZBQOSA-N |