2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(3-methylanilino)-5-oxopentanoate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(3-methylanilino)-5-oxopentanoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(3-methylanilino)-5-oxopentanoate
Compound characteristics
| Compound ID: | 4483-3314 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(3-methylanilino)-5-oxopentanoate |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H22 N2 O6 |
| Smiles: | Cc1cccc(c1)NC(CCCC(=O)OCC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5417 |
| logD: | 3.5417 |
| logSw: | -3.9272 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.978 |
| InChI Key: | FZFOTYHJWJFTCT-UHFFFAOYSA-N |