N'-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
Chemical Structure Depiction of
N'-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
N'-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
Compound characteristics
| Compound ID: | 3269-0402 |
| Compound Name: | N'-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide |
| 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)n1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.9816 |
| logD: | 4.9814 |
| logSw: | -4.8488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.202 |
| InChI Key: | VMBVIIUDARWICY-UHFFFAOYSA-N |