N-(naphthalen-1-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(naphthalen-1-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(naphthalen-1-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-2034 |
| Compound Name: | N-(naphthalen-1-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[N+]([O-])=O)C(Nc1cccc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5125 |
| logD: | 4.5121 |
| logSw: | -4.5769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.3 |
| InChI Key: | LROBFHPBTYYNBE-UHFFFAOYSA-N |