N-{4-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-0069 |
| Compound Name: | N-{4-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccco2)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9035 |
| logD: | 4.9034 |
| logSw: | -4.5902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.24 |
| InChI Key: | BFHCSVGZZMTYFA-UHFFFAOYSA-N |