methyl 5-{[2-(1-{2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinylidene}ethyl)phenoxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[2-(1-{2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinylidene}ethyl)phenoxy]methyl}furan-2-carboxylate
methyl 5-{[2-(1-{2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinylidene}ethyl)phenoxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y501-7337 |
| Compound Name: | methyl 5-{[2-(1-{2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinylidene}ethyl)phenoxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 456.41 |
| Molecular Formula: | C20 H20 N6 O7 |
| Smiles: | C/C(c1ccccc1OCc1ccc(C(=O)OC)o1)=N/NC(CCn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9854 |
| logD: | 1.9851 |
| logSw: | -2.6264 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.604 |
| InChI Key: | SJSOSCARYZCLCU-UHFFFAOYSA-N |