4-{2,5-dimethyl-3-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{2,5-dimethyl-3-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
4-{2,5-dimethyl-3-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3269-0397 |
| Compound Name: | 4-{2,5-dimethyl-3-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 488.42 |
| Molecular Formula: | C23 H19 F3 N4 O5 |
| Smiles: | Cc1cc(/C=N/NC(Cc2ccc(cc2[N+]([O-])=O)C(F)(F)F)=O)c(C)n1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9047 |
| logD: | 2.0185 |
| logSw: | -4.5596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.494 |
| InChI Key: | ROKDAHAUGVMPBS-UHFFFAOYSA-N |