N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-4505 |
| Compound Name: | N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2ccc(Cn3c(C)cc(C)n3)cc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0435 |
| logD: | 4.0435 |
| logSw: | -4.1117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.301 |
| InChI Key: | HKLDIXNNOUNNFV-UHFFFAOYSA-N |