5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole
Chemical Structure Depiction of
5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole
5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | 0991-0014 |
| Compound Name: | 5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1cnnn1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8903 |
| logD: | 4.8903 |
| logSw: | -4.8264 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.638 |
| InChI Key: | SMIRXXSRODYDGQ-UHFFFAOYSA-N |