N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | K415-0042 |
| Compound Name: | N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C26 H28 N4 O2 |
| Smiles: | COc1ccccc1C(Nc1ccc(cc1)n1c(cnn1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6207 |
| logD: | 5.619 |
| logSw: | -5.4606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.978 |
| InChI Key: | RSYNSMRUZIASMG-UHFFFAOYSA-N |