4-[(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Chemical Structure Depiction of
4-[(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
4-[(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Compound characteristics
| Compound ID: | 1809-0106 |
| Compound Name: | 4-[(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate |
| Molecular Weight: | 581.92 |
| Molecular Formula: | C26 H18 Cl F2 N7 O5 |
| Smiles: | COc1cc(\C=N/NC(Cn2c3ccccc3nc2c2c(N)non2)=O)ccc1OC(c1cc(c(cc1[Cl])F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0792 |
| logD: | 5.0783 |
| logSw: | -5.5064 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 130.449 |
| InChI Key: | DSPNFKNTHUHRBC-UHFFFAOYSA-N |