N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-3984 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C26 H28 N4 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2ccn(C34CC5CC(CC(C5)C4)C3)n2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6484 |
| logD: | 5.6245 |
| logSw: | -5.4755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.065 |
| InChI Key: | NOQUMHWXYTUFTQ-UHFFFAOYSA-N |