N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyladamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyladamantane-1-carboxamide
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyladamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-9015 |
| Compound Name: | N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyladamantane-1-carboxamide |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C26 H29 Cl N2 O4 |
| Smiles: | Cc1cc(ccc1[Cl])Oc1cc(cc(c1)[N+]([O-])=O)NC(C12CC3CC(C)(CC(C)(C3)C2)C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.9929 |
| logD: | 7.9835 |
| logSw: | -6.5361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.492 |
| InChI Key: | PWPYZOLGNLEJTR-UHFFFAOYSA-N |