1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | K415-0380 |
| Compound Name: | 1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 321.42 |
| Molecular Formula: | C20 H23 N3 O |
| Smiles: | CC(c1ccc(cc1)n1c(cnn1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5067 |
| logD: | 4.5067 |
| logSw: | -4.2042 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.083 |
| InChI Key: | SXTBAMUGGNWYDJ-UHFFFAOYSA-N |