ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-fluoro-3-methylbenzene-1-sulfonyl)amino}-4-methylpentanoate
Chemical Structure Depiction of
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-fluoro-3-methylbenzene-1-sulfonyl)amino}-4-methylpentanoate
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-fluoro-3-methylbenzene-1-sulfonyl)amino}-4-methylpentanoate
Compound characteristics
| Compound ID: | K783-1235 |
| Compound Name: | ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-fluoro-3-methylbenzene-1-sulfonyl)amino}-4-methylpentanoate |
| Molecular Weight: | 500.97 |
| Molecular Formula: | C22 H26 Cl F N2 O6 S |
| Smiles: | CCOC(CC(C(C)C)N(Cc1ccc(c(c1)[N+]([O-])=O)[Cl])S(c1ccc(c(C)c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2897 |
| logD: | 5.2897 |
| logSw: | -5.8077 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.84 |
| InChI Key: | LRUFWPVQFYIZEL-FQEVSTJZSA-N |