2-chloro-N-[2-(2,4-dinitroanilino)ethyl]-4,5-difluoro-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide
Chemical Structure Depiction of
2-chloro-N-[2-(2,4-dinitroanilino)ethyl]-4,5-difluoro-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide
2-chloro-N-[2-(2,4-dinitroanilino)ethyl]-4,5-difluoro-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide
Compound characteristics
| Compound ID: | 2023-0297 |
| Compound Name: | 2-chloro-N-[2-(2,4-dinitroanilino)ethyl]-4,5-difluoro-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide |
| Molecular Weight: | 526.84 |
| Molecular Formula: | C20 H17 Cl F2 N6 O7 |
| Smiles: | Cc1c(non1)OCCN(CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(c1cc(c(cc1[Cl])F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3487 |
| logD: | 4.3487 |
| logSw: | -4.6972 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.617 |
| InChI Key: | MJNXVVWRQPAPDW-UHFFFAOYSA-N |