4-chloro-3-(2,6-dimethylanilino)-5-oxo-2,5-dihydrofuran-2-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-chloro-3-(2,6-dimethylanilino)-5-oxo-2,5-dihydrofuran-2-yl 4-nitrobenzoate
4-chloro-3-(2,6-dimethylanilino)-5-oxo-2,5-dihydrofuran-2-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 4230-0009 |
| Compound Name: | 4-chloro-3-(2,6-dimethylanilino)-5-oxo-2,5-dihydrofuran-2-yl 4-nitrobenzoate |
| Molecular Weight: | 402.79 |
| Molecular Formula: | C19 H15 Cl N2 O6 |
| Smiles: | Cc1cccc(C)c1NC1C(OC(C=1[Cl])=O)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1412 |
| logD: | 4.053 |
| logSw: | -4.5085 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.622 |
| InChI Key: | JMWYMYCYFUSHEV-LJQANCHMSA-N |