2-chloro-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-5-nitrobenzamide
2-chloro-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 0710-2629 |
| Compound Name: | 2-chloro-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-5-nitrobenzamide |
| Molecular Weight: | 459.37 |
| Molecular Formula: | C24 H24 Cl2 N2 O3 |
| Smiles: | Cc1ccc(cc1NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)C12CC3CC(C1)CC(C3)(C2)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8724 |
| logD: | 6.8645 |
| logSw: | -6.3905 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.775 |
| InChI Key: | CDIHFVLXMQSCII-UHFFFAOYSA-N |