N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-3983 |
| Compound Name: | N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 511.33 |
| Molecular Formula: | C23 H19 Br N4 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2ccc(Cn3cc(cn3)[Br])cc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7022 |
| logD: | 4.7021 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.071 |
| InChI Key: | YMFKYWVZBMUCPT-UHFFFAOYSA-N |