2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(4-bromoanilino)-5-oxopentanoate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(4-bromoanilino)-5-oxopentanoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(4-bromoanilino)-5-oxopentanoate
Compound characteristics
| Compound ID: | 4483-3316 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-(4-bromoanilino)-5-oxopentanoate |
| Molecular Weight: | 463.28 |
| Molecular Formula: | C20 H19 Br N2 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(CCCC(Nc1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0157 |
| logD: | 4.0155 |
| logSw: | -4.3574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.978 |
| InChI Key: | FBUCKSIOZCILRG-UHFFFAOYSA-N |